| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | ||
|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | |||||
| Hydrochlorothiazide | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B | -7.37 | -7.65 | -7.11 | 37.96% | CHEMBL97596 |
| Dolutegravir | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B | -10.50 | -10.90 | -10.29 | 36.53% | CHEMBL225310 |
| Metolazone | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B | -9.04 | -9.47 | -9.31 | 37.77% | CHEMBL370852 |
| Bendroflumethiazide | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B | -9.49 | -9.83 | -9.52 | 33.67% | CHEMBL342323 |
| Hydralazine | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B | -6.96 | -7.24 | -6.77 | 29.41% | CHEMBL39 |
| Hydrochlorothiazide | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A | -7.68 | -7.11 | N/A | 41.73% | CHEMBL3753681 |
| Dolutegravir | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A | -10.85 | -10.38 | N/A | 38.84% | CHEMBL289061 |
| Metolazone | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A | -8.97 | -9.41 | N/A | 56.05% | CHEMBL590482 |
| Bendroflumethiazide | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A | -10.34 | -9.46 | N/A | 45.91% | CHEMBL495678 |
| Hydralazine | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A | -6.66 | -6.60 | N/A | 35.53% | CHEMBL199385 |
| Hydrochlorothiazide | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B | -6.89 | -7.30 | -7.58 | 34.59% | CHEMBL333784 |
| Dolutegravir | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B | -11.32 | -11.17 | -11.47 | 38.40% | CHEMBL472415 |
| Metolazone | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B | -9.53 | -9.50 | -9.98 | 56.05% | CHEMBL590482 |
| Bendroflumethiazide | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B | -9.43 | -9.86 | -10.00 | 39.88% | CHEMBL493951 |
| Hydralazine | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B | -7.57 | -7.37 | -7.67 | 35.53% | CHEMBL199385 |
| Hydrochlorothiazide | 5HT2C_HUMAN | 5-hydroxytryptamine receptor 2C | -6.88 | -7.43 | N/A | 42.64% | CHEMBL1222293 |
| Dolutegravir | 5HT2C_HUMAN | 5-hydroxytryptamine receptor 2C | -10.65 | -11.01 | N/A | 46.80% | CHEMBL216280 |
| Metolazone | 5HT2C_HUMAN | 5-hydroxytryptamine receptor 2C | -9.33 | -8.70 | N/A | 58.97% | CHEMBL605402 |
| Bendroflumethiazide | 5HT2C_HUMAN | 5-hydroxytryptamine receptor 2C | -9.62 | -10.42 | N/A | 45.91% | CHEMBL495678 |
| Hydralazine | 5HT2C_HUMAN | 5-hydroxytryptamine receptor 2C | -6.93 | -7.12 | N/A | 35.53% | CHEMBL199385 |
| Hydrochlorothiazide | AA1R_HUMAN | adenosine A1 receptor | -6.27 | -6.73 | -7.06 | 23.91% | CHEMBL608980 |
| Dolutegravir | AA1R_HUMAN | adenosine A1 receptor | -9.81 | -9.40 | -9.13 | 38.40% | CHEMBL3765424 |
| Metolazone | AA1R_HUMAN | adenosine A1 receptor | -7.99 | -8.35 | -8.64 | 36.73% | CHEMBL608980 |
| Bendroflumethiazide | AA1R_HUMAN | adenosine A1 receptor | -9.23 | -9.41 | -9.19 | 36.06% | CHEMBL210585 |
| Hydralazine | AA1R_HUMAN | adenosine A1 receptor | -6.14 | -6.56 | -7.10 | 34.31% | CHEMBL320805 |
| Hydrochlorothiazide | AA2AR_HUMAN | adenosine A2a receptor | -6.53 | -6.43 | -7.08 | 29.44% | CHEMBL483487 |
| Dolutegravir | AA2AR_HUMAN | adenosine A2a receptor | -9.89 | -9.70 | -10.46 | 40.52% | CHEMBL196665 |
| Metolazone | AA2AR_HUMAN | adenosine A2a receptor | -7.88 | -7.57 | -9.77 | 36.73% | CHEMBL608980 |
| Bendroflumethiazide | AA2AR_HUMAN | adenosine A2a receptor | -8.46 | -8.69 | -9.76 | 36.06% | CHEMBL210585 |
| Hydralazine | AA2AR_HUMAN | adenosine A2a receptor | -6.28 | -6.67 | -7.05 | 34.31% | CHEMBL320805 |
| Hydrochlorothiazide | ACES_HUMAN | acetylcholinesterase (Cartwright blood group) | -8.39 | -8.40 | -9.31 | 37.50% | CHEMBL573102 |
| Dolutegravir | ACES_HUMAN | acetylcholinesterase (Cartwright blood group) | -10.96 | -10.97 | -8.41 | 40.17% | CHEMBL140106 |
| Metolazone | ACES_HUMAN | acetylcholinesterase (Cartwright blood group) | -10.28 | -9.49 | -8.28 | 49.01% | CHEMBL141810 |
| Bendroflumethiazide | ACES_HUMAN | acetylcholinesterase (Cartwright blood group) | -10.29 | -11.12 | -8.50 | 38.56% | CHEMBL575621 |
| Hydralazine | ACES_HUMAN | acetylcholinesterase (Cartwright blood group) | -7.56 | -7.35 | -8.20 | 41.67% | CHEMBL1202884 |
| Hydrochlorothiazide | ACE_HUMAN | angiotensin I converting enzyme | -7.42 | -7.19 | -6.82 | 24.87% | CHEMBL514138 |
| Dolutegravir | ACE_HUMAN | angiotensin I converting enzyme | -10.54 | -10.25 | -9.04 | 30.86% | CHEMBL2435340 |
| Metolazone | ACE_HUMAN | angiotensin I converting enzyme | -8.65 | -8.34 | -8.09 | 33.52% | CHEMBL2435340 |
| Bendroflumethiazide | ACE_HUMAN | angiotensin I converting enzyme | -9.52 | -9.83 | -8.64 | 27.73% | CHEMBL514138 |
| Hydralazine | ACE_HUMAN | angiotensin I converting enzyme | -6.50 | -6.65 | -6.46 | 19.18% | CHEMBL3414811 |
| Hydrochlorothiazide | ACHA9_HUMAN | cholinergic receptor nicotinic alpha 9 subunit | -6.63 | N/A | N/A | 14.61% | CHEMBL386114 |
| Dolutegravir | ACHA9_HUMAN | cholinergic receptor nicotinic alpha 9 subunit | -8.20 | N/A | N/A | 26.35% | CHEMBL386114 |
| Metolazone | ACHA9_HUMAN | cholinergic receptor nicotinic alpha 9 subunit | -7.72 | N/A | N/A | 19.26% | CHEMBL386114 |
| Bendroflumethiazide | ACHA9_HUMAN | cholinergic receptor nicotinic alpha 9 subunit | -7.66 | N/A | N/A | 22.31% | CHEMBL386114 |
| Hydralazine | ACHA9_HUMAN | cholinergic receptor nicotinic alpha 9 subunit | -5.94 | N/A | N/A | 12.09% | CHEMBL386114 |
| Hydrochlorothiazide | ACHB2_HUMAN | cholinergic receptor nicotinic beta 2 subunit | -5.17 | -7.39 | -7.13 | N/A | N/A |
| Dolutegravir | ACHB2_HUMAN | cholinergic receptor nicotinic beta 2 subunit | -9.63 | -4.90 | -5.75 | N/A | N/A |
| Metolazone | ACHB2_HUMAN | cholinergic receptor nicotinic beta 2 subunit | -5.97 | -4.42 | -4.88 | N/A | N/A |
| Bendroflumethiazide | ACHB2_HUMAN | cholinergic receptor nicotinic beta 2 subunit | -6.75 | -7.16 | -5.84 | N/A | N/A |
| Hydralazine | ACHB2_HUMAN | cholinergic receptor nicotinic beta 2 subunit | -6.39 | -7.02 | -7.20 | N/A | N/A |
| Hydrochlorothiazide | ACM1_HUMAN | cholinergic receptor muscarinic 1 | -8.69 | -4.84 | N/A | 35.00% | CHEMBL2057767 |
| Dolutegravir | ACM1_HUMAN | cholinergic receptor muscarinic 1 | -8.63 | 2.61 | N/A | 39.79% | CHEMBL3608415 |
| Metolazone | ACM1_HUMAN | cholinergic receptor muscarinic 1 | -4.81 | 1.94 | N/A | 44.87% | CHEMBL3600977 |
| Bendroflumethiazide | ACM1_HUMAN | cholinergic receptor muscarinic 1 | -8.88 | -2.10 | N/A | 34.90% | CHEMBL2057775 |
| Hydralazine | ACM1_HUMAN | cholinergic receptor muscarinic 1 | -7.12 | -6.85 | N/A | 29.91% | CHEMBL3360955 |
| Hydrochlorothiazide | ACM4_HUMAN | cholinergic receptor muscarinic 4 | -8.43 | -6.99 | N/A | 33.74% | CHEMBL4082397 |
| Dolutegravir | ACM4_HUMAN | cholinergic receptor muscarinic 4 | -8.98 | -9.17 | N/A | 36.77% | CHEMBL107679 |
| Metolazone | ACM4_HUMAN | cholinergic receptor muscarinic 4 | -8.35 | -8.56 | N/A | 39.15% | CHEMBL3633184 |
| Bendroflumethiazide | ACM4_HUMAN | cholinergic receptor muscarinic 4 | -7.76 | -9.22 | N/A | 38.27% | CHEMBL4060443 |
| Hydralazine | ACM4_HUMAN | cholinergic receptor muscarinic 4 | -7.26 | -7.11 | N/A | 25.49% | CHEMBL7568 |
| Hydrochlorothiazide | ADRB2_HUMAN | adrenoceptor beta 2 | -7.04 | -7.49 | -8.28 | 40.14% | CHEMBL1598434 |
| Dolutegravir | ADRB2_HUMAN | adrenoceptor beta 2 | -9.45 | -9.56 | -11.09 | 40.82% | CHEMBL235612 |
| Metolazone | ADRB2_HUMAN | adrenoceptor beta 2 | -7.55 | -7.64 | -9.84 | 51.85% | CHEMBL1490889 |
| Bendroflumethiazide | ADRB2_HUMAN | adrenoceptor beta 2 | -8.06 | -9.30 | -9.98 | 48.62% | CHEMBL347582 |
| Hydralazine | ADRB2_HUMAN | adrenoceptor beta 2 | -7.24 | -7.72 | -7.82 | 32.54% | CHEMBL1383120 |
| Hydrochlorothiazide | AGTR2_HUMAN | angiotensin II receptor type 2 | -6.90 | -6.76 | -6.38 | 26.13% | CHEMBL194608 |
| Dolutegravir | AGTR2_HUMAN | angiotensin II receptor type 2 | -9.48 | -10.60 | -9.85 | 34.63% | CHEMBL2435821 |
| Metolazone | AGTR2_HUMAN | angiotensin II receptor type 2 | -8.78 | -8.97 | -8.04 | 34.69% | CHEMBL263452 |
| Bendroflumethiazide | AGTR2_HUMAN | angiotensin II receptor type 2 | -9.66 | -9.77 | -9.38 | 33.87% | CHEMBL263714 |
| Hydralazine | AGTR2_HUMAN | angiotensin II receptor type 2 | -6.39 | -6.31 | -6.08 | 14.37% | CHEMBL288705 |
| Hydrochlorothiazide | ALDR_HUMAN | aldo-keto reductase family 1 member B | -6.87 | -6.82 | -7.00 | 32.69% | CHEMBL240719 |
| Dolutegravir | ALDR_HUMAN | aldo-keto reductase family 1 member B | -11.22 | -11.71 | -11.24 | 42.69% | CHEMBL334830 |
| Metolazone | ALDR_HUMAN | aldo-keto reductase family 1 member B | -8.12 | -8.70 | -7.74 | 45.95% | CHEMBL291854 |
| Bendroflumethiazide | ALDR_HUMAN | aldo-keto reductase family 1 member B | -9.76 | -9.53 | -9.30 | 50.90% | CHEMBL240719 |
| Hydralazine | ALDR_HUMAN | aldo-keto reductase family 1 member B | -7.98 | -7.98 | -7.62 | 27.84% | CHEMBL369911 |
| Hydrochlorothiazide | AMPN_HUMAN | alanyl aminopeptidase, membrane | -7.24 | -7.73 | -7.35 | 21.19% | CHEMBL328470 |
| Dolutegravir | AMPN_HUMAN | alanyl aminopeptidase, membrane | -10.19 | -10.63 | -10.03 | 35.92% | CHEMBL1077583 |
| Metolazone | AMPN_HUMAN | alanyl aminopeptidase, membrane | -8.66 | -8.42 | -8.53 | 32.12% | CHEMBL2332526 |
| Bendroflumethiazide | AMPN_HUMAN | alanyl aminopeptidase, membrane | -9.48 | -9.77 | -9.22 | 24.49% | CHEMBL1077591 |
| Hydralazine | AMPN_HUMAN | alanyl aminopeptidase, membrane | -6.65 | -7.46 | -7.26 | 18.26% | CHEMBL328470 |
| Hydrochlorothiazide | AOFA_HUMAN | monoamine oxidase A | -7.37 | -7.79 | -7.80 | 23.48% | CHEMBL828 |
| Dolutegravir | AOFA_HUMAN | monoamine oxidase A | -11.14 | -11.59 | -12.90 | 37.40% | CHEMBL3407582 |
| Metolazone | AOFA_HUMAN | monoamine oxidase A | -9.88 | -10.50 | -9.94 | 38.32% | CHEMBL3319257 |
| Bendroflumethiazide | AOFA_HUMAN | monoamine oxidase A | -10.58 | -9.86 | -9.59 | 25.29% | CHEMBL3416434 |
| Hydralazine | AOFA_HUMAN | monoamine oxidase A | -7.67 | -7.28 | -8.02 | 30.95% | CHEMBL258420 |
| Hydrochlorothiazide | AOFB_HUMAN | monoamine oxidase B | -7.98 | -8.02 | -8.24 | 26.21% | CHEMBL3319259 |
| Dolutegravir | AOFB_HUMAN | monoamine oxidase B | -10.78 | -11.34 | -10.91 | 37.40% | CHEMBL3407582 |
| Metolazone | AOFB_HUMAN | monoamine oxidase B | -10.24 | -10.59 | -10.71 | 40.13% | CHEMBL3319251 |
| Bendroflumethiazide | AOFB_HUMAN | monoamine oxidase B | -9.95 | -10.36 | -9.42 | 27.78% | CHEMBL3319243 |
| Hydralazine | AOFB_HUMAN | monoamine oxidase B | -7.41 | -7.47 | -7.20 | 36.67% | CHEMBL3319272 |
| Hydrochlorothiazide | BACE1_HUMAN | beta-secretase 1 | -5.98 | -6.41 | -6.93 | 23.97% | CHEMBL3354257 |
| Dolutegravir | BACE1_HUMAN | beta-secretase 1 | -8.87 | -8.61 | -9.95 | 42.71% | CHEMBL253865 |
| Metolazone | BACE1_HUMAN | beta-secretase 1 | -7.33 | -7.58 | -8.94 | 48.75% | CHEMBL190644 |
| Bendroflumethiazide | BACE1_HUMAN | beta-secretase 1 | -7.75 | -7.98 | -9.02 | 33.47% | CHEMBL1097346 |
| Hydralazine | BACE1_HUMAN | beta-secretase 1 | -5.61 | -6.44 | -7.03 | 31.34% | CHEMBL2059101 |
| Hydrochlorothiazide | CAH2_HUMAN | carbonic anhydrase 2 | -7.46 | -7.22 | -7.26 | 100.00% | CHEMBL435 |
| Dolutegravir | CAH2_HUMAN | carbonic anhydrase 2 | -8.74 | -9.33 | -9.48 | 41.16% | CHEMBL217232 |
| Metolazone | CAH2_HUMAN | carbonic anhydrase 2 | -8.29 | -8.07 | -8.05 | 69.40% | CHEMBL295343 |
| Bendroflumethiazide | CAH2_HUMAN | carbonic anhydrase 2 | -8.79 | -8.57 | -8.40 | 58.39% | CHEMBL1054 |
| Hydralazine | CAH2_HUMAN | carbonic anhydrase 2 | -6.72 | -6.62 | -6.44 | 31.25% | CHEMBL2336906 |
| Hydrochlorothiazide | CASP1_HUMAN | caspase 1 | -5.56 | -5.91 | -6.21 | 27.45% | CHEMBL3133256 |
| Dolutegravir | CASP1_HUMAN | caspase 1 | -8.18 | -8.48 | -7.91 | 43.18% | CHEMBL468641 |
| Metolazone | CASP1_HUMAN | caspase 1 | -6.44 | -7.52 | -6.95 | 47.06% | CHEMBL3133256 |
| Bendroflumethiazide | CASP1_HUMAN | caspase 1 | -7.31 | -7.82 | -7.68 | 38.64% | CHEMBL2381345 |
| Hydralazine | CASP1_HUMAN | caspase 1 | -5.92 | -6.75 | -5.72 | 19.40% | CHEMBL1221744 |
| Hydrochlorothiazide | CDK5_HUMAN | cyclin dependent kinase 5 | -7.37 | -7.67 | -7.39 | 34.59% | CHEMBL1967612 |
| Dolutegravir | CDK5_HUMAN | cyclin dependent kinase 5 | -9.09 | -9.03 | -9.57 | 38.24% | CHEMBL1982506 |
| Metolazone | CDK5_HUMAN | cyclin dependent kinase 5 | -8.20 | -8.23 | -6.72 | 42.41% | CHEMBL1981782 |
| Bendroflumethiazide | CDK5_HUMAN | cyclin dependent kinase 5 | -9.61 | -9.56 | -8.54 | 33.00% | CHEMBL1967544 |
| Hydralazine | CDK5_HUMAN | cyclin dependent kinase 5 | -6.92 | -7.01 | -7.89 | 50.00% | CHEMBL1971519 |
| Hydrochlorothiazide | CHLE_HUMAN | butyrylcholinesterase | -7.94 | -8.25 | -8.21 | 28.78% | CHEMBL601282 |
| Dolutegravir | CHLE_HUMAN | butyrylcholinesterase | -10.04 | -9.67 | -10.32 | 35.54% | CHEMBL3628054 |
| Metolazone | CHLE_HUMAN | butyrylcholinesterase | -8.95 | -8.98 | -9.20 | 37.65% | CHEMBL592673 |
| Bendroflumethiazide | CHLE_HUMAN | butyrylcholinesterase | -9.66 | -9.92 | -10.07 | 30.90% | CHEMBL602314 |
| Hydralazine | CHLE_HUMAN | butyrylcholinesterase | -7.14 | -7.03 | -7.14 | 41.67% | CHEMBL1202884 |
| Hydrochlorothiazide | CNR1_HUMAN | cannabinoid receptor 1 | -5.90 | -7.75 | -7.94 | 44.80% | CHEMBL2336561 |
| Dolutegravir | CNR1_HUMAN | cannabinoid receptor 1 | -9.54 | -10.34 | -10.22 | 49.21% | CHEMBL2163946 |
| Metolazone | CNR1_HUMAN | cannabinoid receptor 1 | -7.65 | -8.79 | -9.63 | 55.29% | CHEMBL246302 |
| Bendroflumethiazide | CNR1_HUMAN | cannabinoid receptor 1 | -7.69 | -10.32 | -8.76 | 57.62% | CHEMBL3975498 |
| Hydralazine | CNR1_HUMAN | cannabinoid receptor 1 | -6.33 | -6.49 | -7.21 | 33.33% | CHEMBL472897 |
| Hydrochlorothiazide | CNR2_HUMAN | cannabinoid receptor 2 | -7.92 | -7.45 | N/A | 44.80% | CHEMBL2336561 |
| Dolutegravir | CNR2_HUMAN | cannabinoid receptor 2 | -10.28 | -11.12 | N/A | 49.38% | CHEMBL3409320 |
| Metolazone | CNR2_HUMAN | cannabinoid receptor 2 | -9.45 | -9.56 | N/A | 55.90% | CHEMBL253462 |
| Bendroflumethiazide | CNR2_HUMAN | cannabinoid receptor 2 | -10.13 | -10.36 | N/A | 58.39% | CHEMBL3920211 |
| Hydralazine | CNR2_HUMAN | cannabinoid receptor 2 | -6.91 | -6.94 | N/A | 32.99% | CHEMBL3421694 |
| Hydrochlorothiazide | COLI_HUMAN | proopiomelanocortin | -8.08 | -7.31 | -6.75 | N/A | N/A |
| Dolutegravir | COLI_HUMAN | proopiomelanocortin | -10.00 | -9.98 | -9.09 | N/A | N/A |
| Metolazone | COLI_HUMAN | proopiomelanocortin | -8.58 | -8.71 | -7.60 | N/A | N/A |
| Bendroflumethiazide | COLI_HUMAN | proopiomelanocortin | -9.14 | -8.81 | -8.39 | N/A | N/A |
| Hydralazine | COLI_HUMAN | proopiomelanocortin | -7.22 | -7.17 | -6.43 | N/A | N/A |
| Hydrochlorothiazide | COMT_HUMAN | catechol-O-methyltransferase | -4.73 | -5.14 | -4.60 | 20.00% | CHEMBL3798524 |
| Dolutegravir | COMT_HUMAN | catechol-O-methyltransferase | -7.20 | -7.12 | -7.24 | 31.80% | CHEMBL3799623 |
| Metolazone | COMT_HUMAN | catechol-O-methyltransferase | -7.60 | -6.79 | -7.24 | 24.42% | CHEMBL3818719 |
| Bendroflumethiazide | COMT_HUMAN | catechol-O-methyltransferase | -6.80 | -6.32 | -6.77 | 21.00% | CHEMBL3425737 |
| Hydralazine | COMT_HUMAN | catechol-O-methyltransferase | -6.43 | -5.88 | -6.56 | 33.70% | CHEMBL3797305 |
| Hydrochlorothiazide | CRP_HUMAN | C-reactive protein | -5.23 | -5.64 | N/A | N/A | N/A |
| Dolutegravir | CRP_HUMAN | C-reactive protein | -7.69 | -7.15 | N/A | N/A | N/A |
| Metolazone | CRP_HUMAN | C-reactive protein | -6.43 | -6.49 | N/A | N/A | N/A |
| Bendroflumethiazide | CRP_HUMAN | C-reactive protein | -6.64 | -6.68 | N/A | N/A | N/A |
| Hydralazine | CRP_HUMAN | C-reactive protein | -5.33 | -6.00 | N/A | N/A | N/A |
| Hydrochlorothiazide | CXCR1_HUMAN | C-X-C motif chemokine receptor 1 | -6.67 | N/A | N/A | 38.56% | CHEMBL218387 |
| Dolutegravir | CXCR1_HUMAN | C-X-C motif chemokine receptor 1 | -0.72 | N/A | N/A | 36.43% | CHEMBL3609013 |
| Metolazone | CXCR1_HUMAN | C-X-C motif chemokine receptor 1 | -2.45 | N/A | N/A | 37.24% | CHEMBL3609013 |
| Bendroflumethiazide | CXCR1_HUMAN | C-X-C motif chemokine receptor 1 | -4.69 | N/A | N/A | 34.84% | CHEMBL221481 |
| Hydralazine | CXCR1_HUMAN | C-X-C motif chemokine receptor 1 | -7.72 | N/A | N/A | 26.51% | CHEMBL184637 |
| Hydrochlorothiazide | CXCR4_HUMAN | C-X-C motif chemokine receptor 4 | -7.08 | -6.47 | -6.47 | 27.88% | CHEMBL3627862 |
| Dolutegravir | CXCR4_HUMAN | C-X-C motif chemokine receptor 4 | -10.79 | -8.42 | -9.77 | 44.13% | CHEMBL3893083 |
| Metolazone | CXCR4_HUMAN | C-X-C motif chemokine receptor 4 | -8.18 | -7.13 | -7.69 | 33.99% | CHEMBL3908835 |
| Bendroflumethiazide | CXCR4_HUMAN | C-X-C motif chemokine receptor 4 | -9.75 | -7.90 | -8.14 | 31.44% | CHEMBL3627858 |
| Hydralazine | CXCR4_HUMAN | C-X-C motif chemokine receptor 4 | -7.26 | -6.23 | -6.81 | 25.61% | CHEMBL237830 |
| Hydrochlorothiazide | DRD2_HUMAN | dopamine receptor D2 | -6.78 | N/A | N/A | 38.57% | CHEMBL195247 |
| Dolutegravir | DRD2_HUMAN | dopamine receptor D2 | -10.54 | N/A | N/A | 40.94% | CHEMBL4093477 |
| Metolazone | DRD2_HUMAN | dopamine receptor D2 | -8.00 | N/A | N/A | 44.52% | CHEMBL560177 |
| Bendroflumethiazide | DRD2_HUMAN | dopamine receptor D2 | -9.51 | N/A | N/A | 45.09% | CHEMBL4081383 |
| Hydralazine | DRD2_HUMAN | dopamine receptor D2 | -6.49 | N/A | N/A | 35.96% | CHEMBL3221299 |
| Hydrochlorothiazide | DRD3_HUMAN | dopamine receptor D3 | -7.40 | N/A | N/A | 38.57% | CHEMBL195247 |
| Dolutegravir | DRD3_HUMAN | dopamine receptor D3 | -10.44 | N/A | N/A | 48.29% | CHEMBL495573 |
| Metolazone | DRD3_HUMAN | dopamine receptor D3 | -8.16 | N/A | N/A | 44.52% | CHEMBL560177 |
| Bendroflumethiazide | DRD3_HUMAN | dopamine receptor D3 | -9.99 | N/A | N/A | 41.75% | CHEMBL238916 |
| Hydralazine | DRD3_HUMAN | dopamine receptor D3 | -6.85 | N/A | N/A | 30.39% | CHEMBL1223748 |
| Hydrochlorothiazide | DRD4_HUMAN | dopamine receptor D4 | -8.06 | -8.13 | N/A | 38.57% | CHEMBL195247 |
| Dolutegravir | DRD4_HUMAN | dopamine receptor D4 | -11.13 | -11.15 | N/A | 39.60% | CHEMBL1627311 |
| Metolazone | DRD4_HUMAN | dopamine receptor D4 | -9.29 | -9.25 | N/A | 51.43% | CHEMBL106917 |
| Bendroflumethiazide | DRD4_HUMAN | dopamine receptor D4 | -10.07 | -10.41 | N/A | 38.46% | CHEMBL106917 |
| Hydralazine | DRD4_HUMAN | dopamine receptor D4 | -7.51 | -7.67 | N/A | 30.39% | CHEMBL273860 |
| Hydrochlorothiazide | EDN1_HUMAN | endothelin 1 | -6.57 | N/A | N/A | N/A | N/A |
| Dolutegravir | EDN1_HUMAN | endothelin 1 | -9.99 | N/A | N/A | N/A | N/A |
| Metolazone | EDN1_HUMAN | endothelin 1 | -7.35 | N/A | N/A | N/A | N/A |
| Bendroflumethiazide | EDN1_HUMAN | endothelin 1 | -9.28 | N/A | N/A | N/A | N/A |
| Hydralazine | EDN1_HUMAN | endothelin 1 | -6.94 | N/A | N/A | N/A | N/A |
| Hydrochlorothiazide | ESR1_HUMAN | estrogen receptor 1 | -7.40 | -7.38 | -7.24 | 39.85% | CHEMBL264655 |
| Dolutegravir | ESR1_HUMAN | estrogen receptor 1 | -8.72 | -10.00 | -9.04 | 35.42% | CHEMBL3925390 |
| Metolazone | ESR1_HUMAN | estrogen receptor 1 | -6.48 | -8.47 | -8.00 | 37.58% | CHEMBL242818 |
| Bendroflumethiazide | ESR1_HUMAN | estrogen receptor 1 | -7.34 | -8.06 | -8.07 | 45.00% | CHEMBL378581 |
| Hydralazine | ESR1_HUMAN | estrogen receptor 1 | -7.19 | -6.73 | -6.46 | 34.52% | CHEMBL223026 |
| Hydrochlorothiazide | FABP5_HUMAN | fatty acid binding protein 5 | -6.94 | -5.70 | -5.65 | 20.32% | CHEMBL3941588 |
| Dolutegravir | FABP5_HUMAN | fatty acid binding protein 5 | -7.59 | -7.28 | -7.70 | 27.34% | CHEMBL3950316 |
| Metolazone | FABP5_HUMAN | fatty acid binding protein 5 | -8.38 | -6.58 | -7.06 | 31.84% | CHEMBL3941588 |
| Bendroflumethiazide | FABP5_HUMAN | fatty acid binding protein 5 | -9.35 | -6.71 | -6.47 | 21.62% | CHEMBL3941588 |
| Hydralazine | FABP5_HUMAN | fatty acid binding protein 5 | -6.45 | -5.18 | -5.67 | 17.88% | CHEMBL3941588 |
| Hydrochlorothiazide | FYN_HUMAN | FYN proto-oncogene, Src family tyrosine kinase | -7.17 | N/A | N/A | 31.98% | CHEMBL1993661 |
| Dolutegravir | FYN_HUMAN | FYN proto-oncogene, Src family tyrosine kinase | -9.95 | N/A | N/A | 36.16% | CHEMBL388978 |
| Metolazone | FYN_HUMAN | FYN proto-oncogene, Src family tyrosine kinase | -8.46 | N/A | N/A | 38.76% | CHEMBL12131 |
| Bendroflumethiazide | FYN_HUMAN | FYN proto-oncogene, Src family tyrosine kinase | -9.13 | N/A | N/A | 32.14% | CHEMBL605003 |
| Hydralazine | FYN_HUMAN | FYN proto-oncogene, Src family tyrosine kinase | -6.93 | N/A | N/A | 35.92% | CHEMBL373798 |
| Hydrochlorothiazide | GLRA3_HUMAN | glycine receptor alpha 3 | -6.91 | -7.49 | -7.65 | 19.73% | CHEMBL4074873 |
| Hydrochlorothiazide | GLRA3_HUMAN | glycine receptor alpha 3 | -7.54 | N/A | N/A | 19.73% | CHEMBL4074873 |
| Dolutegravir | GLRA3_HUMAN | glycine receptor alpha 3 | -10.00 | -9.80 | -10.05 | 21.13% | CHEMBL4070615 |
| Dolutegravir | GLRA3_HUMAN | glycine receptor alpha 3 | -10.51 | N/A | N/A | 21.13% | CHEMBL4070615 |
| Metolazone | GLRA3_HUMAN | glycine receptor alpha 3 | -8.83 | -8.51 | -8.15 | 25.31% | CHEMBL4074873 |
| Metolazone | GLRA3_HUMAN | glycine receptor alpha 3 | -9.53 | N/A | N/A | 25.31% | CHEMBL4074873 |
| Bendroflumethiazide | GLRA3_HUMAN | glycine receptor alpha 3 | -9.87 | -9.60 | -9.86 | 31.09% | CHEMBL4074873 |
| Bendroflumethiazide | GLRA3_HUMAN | glycine receptor alpha 3 | -9.98 | N/A | N/A | 31.09% | CHEMBL4074873 |
| Hydralazine | GLRA3_HUMAN | glycine receptor alpha 3 | -6.97 | -7.21 | -7.12 | 11.79% | CHEMBL4070615 |
| Hydralazine | GLRA3_HUMAN | glycine receptor alpha 3 | -7.67 | N/A | N/A | 11.79% | CHEMBL4070615 |
| Hydrochlorothiazide | GRM5_HUMAN | glutamate metabotropic receptor 5 | -7.09 | -6.36 | -6.28 | 30.91% | CHEMBL4097918 |
| Dolutegravir | GRM5_HUMAN | glutamate metabotropic receptor 5 | -9.60 | -6.83 | -7.00 | 42.08% | CHEMBL3928235 |
| Metolazone | GRM5_HUMAN | glutamate metabotropic receptor 5 | -7.43 | -4.07 | -5.39 | 49.08% | CHEMBL365797 |
| Bendroflumethiazide | GRM5_HUMAN | glutamate metabotropic receptor 5 | -9.73 | -5.04 | -4.52 | 30.96% | CHEMBL4095476 |
| Hydralazine | GRM5_HUMAN | glutamate metabotropic receptor 5 | -7.26 | -7.51 | -7.40 | 34.41% | CHEMBL1682803 |
| Hydrochlorothiazide | HPGDS_HUMAN | hematopoietic prostaglandin D synthase | -6.73 | -6.10 | -7.55 | 22.96% | CHEMBL1490019 |
| Dolutegravir | HPGDS_HUMAN | hematopoietic prostaglandin D synthase | -9.74 | -9.99 | -9.54 | 39.33% | CHEMBL1233897 |
| Metolazone | HPGDS_HUMAN | hematopoietic prostaglandin D synthase | -7.58 | -6.90 | -6.70 | 38.50% | CHEMBL3650213 |
| Bendroflumethiazide | HPGDS_HUMAN | hematopoietic prostaglandin D synthase | -9.22 | -8.19 | -7.82 | 26.55% | CHEMBL1490019 |
| Hydralazine | HPGDS_HUMAN | hematopoietic prostaglandin D synthase | -6.45 | -6.37 | -7.55 | 20.00% | CHEMBL3650196 |
| Hydrochlorothiazide | HRH1_HUMAN | histamine receptor H1 | -5.64 | N/A | N/A | 43.95% | CHEMBL2171041 |
| Dolutegravir | HRH1_HUMAN | histamine receptor H1 | -8.10 | N/A | N/A | 39.85% | CHEMBL2207280 |
| Metolazone | HRH1_HUMAN | histamine receptor H1 | -5.45 | N/A | N/A | 38.02% | CHEMBL1910379 |
| Bendroflumethiazide | HRH1_HUMAN | histamine receptor H1 | -7.55 | N/A | N/A | 36.87% | CHEMBL2171041 |
| Hydralazine | HRH1_HUMAN | histamine receptor H1 | -7.79 | N/A | N/A | 27.45% | CHEMBL511 |
| Hydrochlorothiazide | HYES_HUMAN | epoxide hydrolase 2 | -7.69 | -8.28 | -6.68 | 42.11% | CHEMBL2392747 |
| Dolutegravir | HYES_HUMAN | epoxide hydrolase 2 | -10.08 | -10.27 | -9.19 | 41.15% | CHEMBL3104434 |
| Metolazone | HYES_HUMAN | epoxide hydrolase 2 | -10.11 | -10.39 | -8.25 | 46.21% | CHEMBL1818405 |
| Bendroflumethiazide | HYES_HUMAN | epoxide hydrolase 2 | -9.79 | -10.44 | -9.49 | 48.81% | CHEMBL2313199 |
| Hydralazine | HYES_HUMAN | epoxide hydrolase 2 | -7.34 | -7.19 | -6.84 | 24.69% | CHEMBL2031937 |
| Hydrochlorothiazide | IKKB_HUMAN | inhibitor of nuclear factor kappa B kinase subunit beta | -7.14 | N/A | N/A | 33.73% | CHEMBL411659 |
| Dolutegravir | IKKB_HUMAN | inhibitor of nuclear factor kappa B kinase subunit beta | -10.04 | N/A | N/A | 37.62% | CHEMBL1807619 |
| Metolazone | IKKB_HUMAN | inhibitor of nuclear factor kappa B kinase subunit beta | -8.05 | N/A | N/A | 39.10% | CHEMBL230488 |
| Bendroflumethiazide | IKKB_HUMAN | inhibitor of nuclear factor kappa B kinase subunit beta | -8.70 | N/A | N/A | 35.96% | CHEMBL230055 |
| Hydralazine | IKKB_HUMAN | inhibitor of nuclear factor kappa B kinase subunit beta | -7.23 | N/A | N/A | 36.36% | CHEMBL390201 |
| Hydrochlorothiazide | MDR1_HUMAN | ATP binding cassette subfamily B member 1 | -6.89 | -7.02 | N/A | 50.93% | CHEMBL498 |
| Dolutegravir | MDR1_HUMAN | ATP binding cassette subfamily B member 1 | -9.50 | -9.90 | N/A | 41.58% | CHEMBL1256399 |
| Metolazone | MDR1_HUMAN | ATP binding cassette subfamily B member 1 | -8.12 | -8.73 | N/A | 67.36% | CHEMBL376721 |
| Bendroflumethiazide | MDR1_HUMAN | ATP binding cassette subfamily B member 1 | -9.20 | -9.73 | N/A | 35.50% | CHEMBL472 |
| Hydralazine | MDR1_HUMAN | ATP binding cassette subfamily B member 1 | -6.79 | -7.23 | N/A | 29.09% | CHEMBL2391709 |
| Hydrochlorothiazide | MIF_HUMAN | macrophage migration inhibitory factor | -4.93 | -5.56 | -4.98 | 23.53% | CHEMBL3409229 |
| Dolutegravir | MIF_HUMAN | macrophage migration inhibitory factor | -7.59 | -7.81 | -6.81 | 28.21% | CHEMBL554271 |
| Metolazone | MIF_HUMAN | macrophage migration inhibitory factor | -5.39 | -6.29 | -6.23 | 35.12% | CHEMBL1604170 |
| Bendroflumethiazide | MIF_HUMAN | macrophage migration inhibitory factor | -6.99 | -8.11 | -6.88 | 23.87% | CHEMBL3409229 |
| Hydralazine | MIF_HUMAN | macrophage migration inhibitory factor | -5.72 | -6.79 | -5.41 | 33.75% | CHEMBL224086 |
| Hydrochlorothiazide | MK01_HUMAN | mitogen-activated protein kinase 1 | -6.78 | -6.55 | -6.04 | 31.98% | CHEMBL1993661 |
| Dolutegravir | MK01_HUMAN | mitogen-activated protein kinase 1 | -9.56 | -9.40 | -9.26 | 45.33% | CHEMBL3608591 |
| Metolazone | MK01_HUMAN | mitogen-activated protein kinase 1 | -7.39 | -8.48 | -7.40 | 42.41% | CHEMBL1981782 |
| Bendroflumethiazide | MK01_HUMAN | mitogen-activated protein kinase 1 | -8.98 | -8.89 | -8.38 | 33.00% | CHEMBL1967544 |
| Hydralazine | MK01_HUMAN | mitogen-activated protein kinase 1 | -6.53 | -7.05 | -7.13 | 34.29% | CHEMBL86754 |
| Hydrochlorothiazide | MK03_HUMAN | mitogen-activated protein kinase 3 | -7.87 | -6.98 | -6.81 | 20.86% | CHEMBL3799716 |
| Dolutegravir | MK03_HUMAN | mitogen-activated protein kinase 3 | -10.52 | -10.51 | -9.56 | 31.64% | CHEMBL1336 |
| Metolazone | MK03_HUMAN | mitogen-activated protein kinase 3 | -7.00 | -8.42 | -7.71 | 36.56% | CHEMBL1336 |
| Bendroflumethiazide | MK03_HUMAN | mitogen-activated protein kinase 3 | -9.52 | -9.13 | -8.50 | 24.81% | CHEMBL554497 |
| Hydralazine | MK03_HUMAN | mitogen-activated protein kinase 3 | -6.76 | -6.75 | -6.85 | 28.70% | CHEMBL3798109 |
| Hydrochlorothiazide | MTOR_HUMAN | mechanistic target of rapamycin kinase | -6.83 | -6.86 | -7.01 | 33.85% | CHEMBL4059778 |
| Dolutegravir | MTOR_HUMAN | mechanistic target of rapamycin kinase | -11.16 | -11.28 | -11.17 | 43.10% | CHEMBL3645987 |
| Metolazone | MTOR_HUMAN | mechanistic target of rapamycin kinase | -9.18 | -8.96 | -8.81 | 38.92% | CHEMBL4087157 |
| Bendroflumethiazide | MTOR_HUMAN | mechanistic target of rapamycin kinase | -9.70 | -9.64 | -9.78 | 31.88% | CHEMBL4059778 |
| Hydralazine | MTOR_HUMAN | mechanistic target of rapamycin kinase | -6.74 | -6.88 | -6.89 | 26.50% | CHEMBL1762778 |
| Hydrochlorothiazide | NEP_HUMAN | membrane metalloendopeptidase | -7.96 | -6.61 | -6.81 | 20.40% | CHEMBL298388 |
| Dolutegravir | NEP_HUMAN | membrane metalloendopeptidase | -9.11 | -8.94 | -10.74 | 35.46% | CHEMBL3145341 |
| Metolazone | NEP_HUMAN | membrane metalloendopeptidase | -8.17 | -7.80 | -7.97 | 26.25% | CHEMBL3145346 |
| Bendroflumethiazide | NEP_HUMAN | membrane metalloendopeptidase | -9.59 | -8.35 | -8.95 | 25.33% | CHEMBL298388 |
| Hydralazine | NEP_HUMAN | membrane metalloendopeptidase | -6.77 | -6.81 | -6.68 | 23.77% | CHEMBL211943 |
| Hydrochlorothiazide | NK1R_HUMAN | tachykinin receptor 1 | -6.79 | -7.54 | -6.59 | 27.27% | CHEMBL345866 |
| Dolutegravir | NK1R_HUMAN | tachykinin receptor 1 | -10.73 | -10.01 | -9.69 | 43.62% | CHEMBL340931 |
| Metolazone | NK1R_HUMAN | tachykinin receptor 1 | -8.67 | -8.35 | -8.52 | 42.33% | CHEMBL419004 |
| Bendroflumethiazide | NK1R_HUMAN | tachykinin receptor 1 | -9.06 | -8.94 | -8.75 | 36.18% | CHEMBL3651896 |
| Hydralazine | NK1R_HUMAN | tachykinin receptor 1 | -6.78 | -6.97 | -6.72 | 21.78% | CHEMBL383289 |
| Hydrochlorothiazide | NMDE1_HUMAN | glutamate ionotropic receptor NMDA type subunit 2A | -7.05 | -8.07 | -7.33 | 28.29% | CHEMBL2333945 |
| Dolutegravir | NMDE1_HUMAN | glutamate ionotropic receptor NMDA type subunit 2A | -9.69 | -10.69 | -9.08 | 16.91% | CHEMBL2333945 |
| Metolazone | NMDE1_HUMAN | glutamate ionotropic receptor NMDA type subunit 2A | -8.19 | -7.91 | -7.36 | 31.28% | CHEMBL2333945 |
| Bendroflumethiazide | NMDE1_HUMAN | glutamate ionotropic receptor NMDA type subunit 2A | -8.58 | -8.87 | -7.98 | 26.32% | CHEMBL2333945 |
| Hydralazine | NMDE1_HUMAN | glutamate ionotropic receptor NMDA type subunit 2A | -7.54 | -7.32 | -7.71 | 9.63% | CHEMBL2333945 |
| Hydrochlorothiazide | NMDE2_HUMAN | glutamate ionotropic receptor NMDA type subunit 2B | -7.16 | -7.27 | -7.27 | 16.13% | CHEMBL1779013 |
| Dolutegravir | NMDE2_HUMAN | glutamate ionotropic receptor NMDA type subunit 2B | -10.79 | -10.99 | -10.05 | 38.93% | CHEMBL1779013 |
| Metolazone | NMDE2_HUMAN | glutamate ionotropic receptor NMDA type subunit 2B | -8.89 | -8.61 | -9.29 | 31.28% | CHEMBL1779013 |
| Bendroflumethiazide | NMDE2_HUMAN | glutamate ionotropic receptor NMDA type subunit 2B | -10.18 | -10.31 | -8.42 | 25.14% | CHEMBL444384 |
| Hydralazine | NMDE2_HUMAN | glutamate ionotropic receptor NMDA type subunit 2B | -7.23 | -6.73 | -7.86 | 22.81% | CHEMBL2013202 |
| Hydrochlorothiazide | NMDZ1_HUMAN | glutamate ionotropic receptor NMDA type subunit 1 | -7.41 | -7.07 | -7.33 | 33.52% | CHEMBL159739 |
| Dolutegravir | NMDZ1_HUMAN | glutamate ionotropic receptor NMDA type subunit 1 | -9.69 | -9.67 | -9.08 | 37.87% | CHEMBL354003 |
| Metolazone | NMDZ1_HUMAN | glutamate ionotropic receptor NMDA type subunit 1 | -8.17 | -7.20 | -7.36 | 43.20% | CHEMBL349729 |
| Bendroflumethiazide | NMDZ1_HUMAN | glutamate ionotropic receptor NMDA type subunit 1 | -8.59 | -8.82 | -7.98 | 30.32% | CHEMBL159739 |
| Hydralazine | NMDZ1_HUMAN | glutamate ionotropic receptor NMDA type subunit 1 | -7.54 | -7.24 | -7.71 | 16.31% | CHEMBL164231 |
| Hydrochlorothiazide | NOS1_HUMAN | nitric oxide synthase 1 | -7.72 | -8.03 | -7.58 | 25.21% | CHEMBL469352 |
| Dolutegravir | NOS1_HUMAN | nitric oxide synthase 1 | -10.55 | -10.37 | -9.86 | 38.57% | CHEMBL447183 |
| Metolazone | NOS1_HUMAN | nitric oxide synthase 1 | -9.09 | -7.74 | -8.98 | 38.66% | CHEMBL491897 |
| Bendroflumethiazide | NOS1_HUMAN | nitric oxide synthase 1 | -9.11 | -9.59 | -9.44 | 25.60% | CHEMBL3142587 |
| Hydralazine | NOS1_HUMAN | nitric oxide synthase 1 | -7.45 | -7.68 | -6.80 | 36.67% | CHEMBL479014 |
| Hydrochlorothiazide | NOS2_HUMAN | nitric oxide synthase 2 | -7.71 | -7.41 | -7.85 | 27.41% | CHEMBL490886 |
| Dolutegravir | NOS2_HUMAN | nitric oxide synthase 2 | -9.67 | -9.95 | -1.68 | 38.57% | CHEMBL447183 |
| Metolazone | NOS2_HUMAN | nitric oxide synthase 2 | -6.78 | -7.92 | -6.87 | 42.02% | CHEMBL522467 |
| Bendroflumethiazide | NOS2_HUMAN | nitric oxide synthase 2 | -8.91 | -10.30 | -8.01 | 31.52% | CHEMBL490886 |
| Hydralazine | NOS2_HUMAN | nitric oxide synthase 2 | -6.64 | -6.56 | -6.87 | 36.67% | CHEMBL479014 |
| Hydrochlorothiazide | NTRK1_HUMAN | neurotrophic receptor tyrosine kinase 1 | -6.85 | -7.03 | -7.09 | 34.38% | CHEMBL1996795 |
| Dolutegravir | NTRK1_HUMAN | neurotrophic receptor tyrosine kinase 1 | -10.73 | -10.96 | -10.86 | 38.13% | CHEMBL2003524 |
| Metolazone | NTRK1_HUMAN | neurotrophic receptor tyrosine kinase 1 | -8.35 | -8.44 | -8.50 | 37.64% | CHEMBL3109646 |
| Bendroflumethiazide | NTRK1_HUMAN | neurotrophic receptor tyrosine kinase 1 | -10.02 | -10.05 | -9.75 | 38.30% | CHEMBL1996795 |
| Hydralazine | NTRK1_HUMAN | neurotrophic receptor tyrosine kinase 1 | -7.21 | -7.67 | -7.73 | 50.00% | CHEMBL1971519 |
| Hydrochlorothiazide | OPRD_HUMAN | opioid receptor delta 1 | -6.18 | -6.09 | -6.46 | 25.93% | CHEMBL339621 |
| Dolutegravir | OPRD_HUMAN | opioid receptor delta 1 | -9.29 | -7.37 | -8.47 | 39.18% | CHEMBL3698816 |
| Metolazone | OPRD_HUMAN | opioid receptor delta 1 | -7.82 | -6.91 | -7.45 | 45.69% | CHEMBL1332208 |
| Bendroflumethiazide | OPRD_HUMAN | opioid receptor delta 1 | -8.90 | -7.35 | -7.80 | 35.64% | CHEMBL192998 |
| Hydralazine | OPRD_HUMAN | opioid receptor delta 1 | -6.92 | -5.75 | -6.31 | 29.69% | CHEMBL3185265 |
| Hydrochlorothiazide | OPRK_HUMAN | opioid receptor kappa 1 | -7.17 | -6.78 | -6.68 | 39.74% | CHEMBL499352 |
| Dolutegravir | OPRK_HUMAN | opioid receptor kappa 1 | -10.73 | -10.02 | -10.15 | 44.02% | CHEMBL3698799 |
| Metolazone | OPRK_HUMAN | opioid receptor kappa 1 | -9.53 | -9.35 | -8.12 | 39.62% | CHEMBL1710945 |
| Bendroflumethiazide | OPRK_HUMAN | opioid receptor kappa 1 | -9.88 | -9.32 | -9.49 | 38.14% | CHEMBL3590190 |
| Hydralazine | OPRK_HUMAN | opioid receptor kappa 1 | -6.61 | -6.60 | -7.20 | 31.40% | CHEMBL4101810 |
| Hydrochlorothiazide | OPRM_MOUSE | Mu-type opioid receptor | -6.55 | -7.11 | N/A | 17.39% | CHEMBL596 |
| Dolutegravir | OPRM_MOUSE | Mu-type opioid receptor | -10.82 | -9.58 | N/A | 35.71% | CHEMBL2417568 |
| Metolazone | OPRM_MOUSE | Mu-type opioid receptor | -8.56 | -8.73 | N/A | 32.67% | CHEMBL185687 |
| Bendroflumethiazide | OPRM_MOUSE | Mu-type opioid receptor | -9.38 | -8.84 | N/A | 27.78% | CHEMBL596 |
| Hydralazine | OPRM_MOUSE | Mu-type opioid receptor | -7.20 | -6.38 | N/A | 18.38% | CHEMBL327745 |
| Hydrochlorothiazide | OPRX_HUMAN | opioid related nociceptin receptor 1 | -7.01 | -6.34 | -6.74 | 33.09% | CHEMBL3942616 |
| Dolutegravir | OPRX_HUMAN | opioid related nociceptin receptor 1 | -9.42 | -9.36 | -9.30 | 34.55% | CHEMBL511232 |
| Metolazone | OPRX_HUMAN | opioid related nociceptin receptor 1 | -8.73 | -7.73 | -8.00 | 45.45% | CHEMBL1079941 |
| Bendroflumethiazide | OPRX_HUMAN | opioid related nociceptin receptor 1 | -8.89 | -8.72 | -8.49 | 35.29% | CHEMBL3942616 |
| Hydralazine | OPRX_HUMAN | opioid related nociceptin receptor 1 | -6.05 | -6.41 | -6.34 | 26.88% | CHEMBL3139682 |
| Hydrochlorothiazide | P2RX3_HUMAN | purinergic receptor P2X 3 | -5.78 | -5.94 | -5.34 | 27.49% | CHEMBL413145 |
| Dolutegravir | P2RX3_HUMAN | purinergic receptor P2X 3 | -6.76 | -6.90 | -7.17 | 35.05% | CHEMBL3904601 |
| Metolazone | P2RX3_HUMAN | purinergic receptor P2X 3 | -6.45 | -6.62 | -6.98 | 43.33% | CHEMBL413145 |
| Bendroflumethiazide | P2RX3_HUMAN | purinergic receptor P2X 3 | -6.67 | -6.78 | -6.80 | 33.50% | CHEMBL413145 |
| Hydralazine | P2RX3_HUMAN | purinergic receptor P2X 3 | -5.51 | -5.16 | -5.58 | 22.41% | CHEMBL3897696 |
| Hydrochlorothiazide | P2Y12_HUMAN | purinergic receptor P2Y12 | -7.60 | -7.36 | -8.32 | 37.10% | CHEMBL2402253 |
| Dolutegravir | P2Y12_HUMAN | purinergic receptor P2Y12 | -10.70 | -8.14 | -9.84 | 45.02% | CHEMBL3652614 |
| Metolazone | P2Y12_HUMAN | purinergic receptor P2Y12 | -7.98 | -6.21 | -7.98 | 38.64% | CHEMBL591212 |
| Bendroflumethiazide | P2Y12_HUMAN | purinergic receptor P2Y12 | -9.08 | -9.13 | -10.81 | 32.02% | CHEMBL2402248 |
| Hydralazine | P2Y12_HUMAN | purinergic receptor P2Y12 | -7.08 | -7.29 | -7.77 | 25.00% | CHEMBL90195 |
| Hydrochlorothiazide | PAR1_HUMAN | coagulation factor II thrombin receptor | -7.41 | N/A | N/A | 24.59% | CHEMBL3143297 |
| Dolutegravir | PAR1_HUMAN | coagulation factor II thrombin receptor | -10.56 | N/A | N/A | 39.38% | CHEMBL308052 |
| Metolazone | PAR1_HUMAN | coagulation factor II thrombin receptor | -8.42 | N/A | N/A | 40.23% | CHEMBL90698 |
| Bendroflumethiazide | PAR1_HUMAN | coagulation factor II thrombin receptor | -10.10 | N/A | N/A | 29.38% | CHEMBL3143297 |
| Hydralazine | PAR1_HUMAN | coagulation factor II thrombin receptor | -7.02 | N/A | N/A | 26.26% | CHEMBL292089 |
| Hydrochlorothiazide | PDE4B_HUMAN | phosphodiesterase 4B | -7.29 | -6.94 | -7.09 | 31.29% | CHEMBL576479 |
| Dolutegravir | PDE4B_HUMAN | phosphodiesterase 4B | -10.50 | -11.07 | -10.99 | 46.67% | CHEMBL3288021 |
| Metolazone | PDE4B_HUMAN | phosphodiesterase 4B | -8.70 | -8.48 | -7.98 | 43.26% | CHEMBL380321 |
| Bendroflumethiazide | PDE4B_HUMAN | phosphodiesterase 4B | -9.81 | -10.72 | -10.49 | 30.84% | CHEMBL571593 |
| Hydralazine | PDE4B_HUMAN | phosphodiesterase 4B | -6.96 | -7.97 | -7.73 | 50.00% | CHEMBL124706 |
| Hydrochlorothiazide | PDE5A_HUMAN | phosphodiesterase 5A | -7.07 | -7.63 | -7.55 | 24.88% | CHEMBL2414309 |
| Dolutegravir | PDE5A_HUMAN | phosphodiesterase 5A | -10.54 | -11.10 | -10.88 | 45.00% | CHEMBL349299 |
| Metolazone | PDE5A_HUMAN | phosphodiesterase 5A | -8.23 | -9.77 | -8.95 | 44.79% | CHEMBL4092040 |
| Bendroflumethiazide | PDE5A_HUMAN | phosphodiesterase 5A | -9.95 | -10.02 | -10.31 | 27.39% | CHEMBL2414307 |
| Hydralazine | PDE5A_HUMAN | phosphodiesterase 5A | -7.65 | -6.94 | -6.98 | 36.70% | CHEMBL332898 |
| Hydrochlorothiazide | PERM_HUMAN | myeloperoxidase | -6.38 | -6.97 | -6.38 | 21.67% | CHEMBL3741401 |
| Dolutegravir | PERM_HUMAN | myeloperoxidase | -9.33 | -9.63 | -9.13 | 29.66% | CHEMBL3633249 |
| Metolazone | PERM_HUMAN | myeloperoxidase | -7.96 | -8.12 | -8.34 | 29.59% | CHEMBL86 |
| Bendroflumethiazide | PERM_HUMAN | myeloperoxidase | -8.45 | -8.54 | -8.25 | 31.40% | CHEMBL2346670 |
| Hydralazine | PERM_HUMAN | myeloperoxidase | -7.96 | -8.08 | -7.81 | 100.00% | CHEMBL276832 |
| Hydrochlorothiazide | PGH1_SHEEP | Prostaglandin G/H synthase 1 | -6.17 | -7.71 | -6.50 | 25.13% | CHEMBL280636 |
| Dolutegravir | PGH1_SHEEP | Prostaglandin G/H synthase 1 | -8.41 | -9.07 | -8.72 | 29.89% | CHEMBL24798 |
| Metolazone | PGH1_SHEEP | Prostaglandin G/H synthase 1 | -7.49 | -9.01 | -8.47 | 40.28% | CHEMBL8968 |
| Bendroflumethiazide | PGH1_SHEEP | Prostaglandin G/H synthase 1 | -8.28 | -9.39 | -7.55 | 29.55% | CHEMBL2041695 |
| Hydralazine | PGH1_SHEEP | Prostaglandin G/H synthase 1 | -6.97 | -7.13 | -6.70 | 21.59% | CHEMBL104592 |
| Hydrochlorothiazide | PGH2_HUMAN | prostaglandin-endoperoxide synthase 2 | -6.25 | -6.61 | -6.78 | 36.92% | CHEMBL52872 |
| Dolutegravir | PGH2_HUMAN | prostaglandin-endoperoxide synthase 2 | -3.86 | -7.07 | -8.97 | 34.52% | CHEMBL4096865 |
| Metolazone | PGH2_HUMAN | prostaglandin-endoperoxide synthase 2 | -3.65 | -6.48 | -7.76 | 39.44% | CHEMBL3322421 |
| Bendroflumethiazide | PGH2_HUMAN | prostaglandin-endoperoxide synthase 2 | -5.88 | -6.61 | -7.48 | 35.19% | CHEMBL1766299 |
| Hydralazine | PGH2_HUMAN | prostaglandin-endoperoxide synthase 2 | -7.61 | -7.27 | -7.08 | 28.09% | CHEMBL347198 |
| Hydrochlorothiazide | PPAP_HUMAN | acid phosphatase 3 | -8.66 | N/A | N/A | 11.51% | CHEMBL453954 |
| Dolutegravir | PPAP_HUMAN | acid phosphatase 3 | -8.91 | N/A | N/A | 16.47% | CHEMBL507996 |
| Metolazone | PPAP_HUMAN | acid phosphatase 3 | -8.61 | N/A | N/A | 19.76% | CHEMBL501717 |
| Bendroflumethiazide | PPAP_HUMAN | acid phosphatase 3 | -9.77 | N/A | N/A | 15.82% | CHEMBL501717 |
| Hydralazine | PPAP_HUMAN | acid phosphatase 3 | -7.40 | N/A | N/A | 12.39% | CHEMBL507996 |
| Hydrochlorothiazide | PPARG_HUMAN | peroxisome proliferator activated receptor gamma | -7.16 | -7.27 | -6.44 | 40.46% | CHEMBL2338476 |
| Dolutegravir | PPARG_HUMAN | peroxisome proliferator activated receptor gamma | -10.50 | -9.33 | -9.86 | 38.69% | CHEMBL238357 |
| Metolazone | PPARG_HUMAN | peroxisome proliferator activated receptor gamma | -8.70 | -8.18 | -8.86 | 50.00% | CHEMBL496534 |
| Bendroflumethiazide | PPARG_HUMAN | peroxisome proliferator activated receptor gamma | -8.62 | -8.51 | -8.92 | 39.00% | CHEMBL386307 |
| Hydralazine | PPARG_HUMAN | peroxisome proliferator activated receptor gamma | -6.58 | -6.87 | -6.31 | 25.00% | CHEMBL202617 |
| Hydrochlorothiazide | PRGR_HUMAN | progesterone receptor | -7.53 | -7.38 | -7.18 | 45.83% | CHEMBL3912431 |
| Dolutegravir | PRGR_HUMAN | progesterone receptor | -2.85 | -1.59 | -6.19 | 38.91% | CHEMBL3315068 |
| Metolazone | PRGR_HUMAN | progesterone receptor | -9.60 | -8.73 | -9.52 | 39.33% | CHEMBL486433 |
| Bendroflumethiazide | PRGR_HUMAN | progesterone receptor | -7.72 | -7.08 | -9.40 | 44.00% | CHEMBL3094480 |
| Hydralazine | PRGR_HUMAN | progesterone receptor | -6.88 | -6.85 | -6.98 | 26.97% | CHEMBL1672540 |
| Hydrochlorothiazide | PTGES_HUMAN | prostaglandin E synthase | -6.92 | N/A | N/A | 30.07% | CHEMBL3092269 |
| Dolutegravir | PTGES_HUMAN | prostaglandin E synthase | -8.64 | N/A | N/A | 38.97% | CHEMBL3901488 |
| Metolazone | PTGES_HUMAN | prostaglandin E synthase | -8.43 | N/A | N/A | 44.38% | CHEMBL2336517 |
| Bendroflumethiazide | PTGES_HUMAN | prostaglandin E synthase | -7.82 | N/A | N/A | 36.94% | CHEMBL1080552 |
| Hydralazine | PTGES_HUMAN | prostaglandin E synthase | -6.87 | N/A | N/A | 26.73% | CHEMBL4093446 |
| Hydrochlorothiazide | SC6A4_HUMAN | solute carrier family 6 member 4 | -7.47 | -7.39 | -7.79 | 30.08% | CHEMBL71 |
| Dolutegravir | SC6A4_HUMAN | solute carrier family 6 member 4 | -10.79 | -10.63 | -11.33 | 37.41% | CHEMBL3818901 |
| Metolazone | SC6A4_HUMAN | solute carrier family 6 member 4 | -10.12 | -8.98 | -10.42 | 42.24% | CHEMBL552341 |
| Bendroflumethiazide | SC6A4_HUMAN | solute carrier family 6 member 4 | -10.32 | -9.90 | -10.24 | 37.93% | CHEMBL209324 |
| Hydralazine | SC6A4_HUMAN | solute carrier family 6 member 4 | -7.35 | -7.12 | -7.40 | 39.29% | CHEMBL1172526 |
| Hydrochlorothiazide | SCN9A_HUMAN | sodium voltage-gated channel alpha subunit 9 | -6.86 | N/A | N/A | 35.88% | CHEMBL4060154 |
| Dolutegravir | SCN9A_HUMAN | sodium voltage-gated channel alpha subunit 9 | -9.23 | N/A | N/A | 44.24% | CHEMBL3899704 |
| Metolazone | SCN9A_HUMAN | sodium voltage-gated channel alpha subunit 9 | -7.36 | N/A | N/A | 39.52% | CHEMBL3684307 |
| Bendroflumethiazide | SCN9A_HUMAN | sodium voltage-gated channel alpha subunit 9 | -8.47 | N/A | N/A | 34.10% | CHEMBL3914745 |
| Hydralazine | SCN9A_HUMAN | sodium voltage-gated channel alpha subunit 9 | -7.09 | N/A | N/A | 30.83% | CHEMBL3914908 |
| Hydrochlorothiazide | TLR4_HUMAN | toll like receptor 4 | -6.23 | -6.51 | -6.96 | 25.47% | CHEMBL3823499 |
| Dolutegravir | TLR4_HUMAN | toll like receptor 4 | -9.06 | -8.98 | -9.02 | 26.88% | CHEMBL1223751 |
| Metolazone | TLR4_HUMAN | toll like receptor 4 | -8.27 | -8.09 | -7.87 | 24.74% | CHEMBL3823499 |
| Bendroflumethiazide | TLR4_HUMAN | toll like receptor 4 | -8.95 | -8.35 | -7.96 | 21.67% | CHEMBL3823499 |
| Hydralazine | TLR4_HUMAN | toll like receptor 4 | -6.03 | -6.23 | -6.36 | 31.36% | CHEMBL3823499 |
| Hydrochlorothiazide | TNFA_HUMAN | tumor necrosis factor | -6.93 | N/A | N/A | 33.33% | CHEMBL1709705 |
| Dolutegravir | TNFA_HUMAN | tumor necrosis factor | -8.15 | N/A | N/A | 42.91% | CHEMBL3640333 |
| Metolazone | TNFA_HUMAN | tumor necrosis factor | -7.43 | N/A | N/A | 46.51% | CHEMBL1465706 |
| Bendroflumethiazide | TNFA_HUMAN | tumor necrosis factor | -8.28 | N/A | N/A | 42.08% | CHEMBL1607187 |
| Hydralazine | TNFA_HUMAN | tumor necrosis factor | -6.24 | N/A | N/A | 22.13% | CHEMBL3892871 |
| Hydrochlorothiazide | TRBM_HUMAN | thrombomodulin | -6.92 | -6.42 | N/A | N/A | N/A |
| Dolutegravir | TRBM_HUMAN | thrombomodulin | -9.31 | -8.61 | N/A | N/A | N/A |
| Metolazone | TRBM_HUMAN | thrombomodulin | -7.94 | -7.88 | N/A | N/A | N/A |
| Bendroflumethiazide | TRBM_HUMAN | thrombomodulin | -9.49 | -7.92 | N/A | N/A | N/A |
| Hydralazine | TRBM_HUMAN | thrombomodulin | -6.54 | -6.02 | N/A | N/A | N/A |
| Hydrochlorothiazide | TRPM4_HUMAN | transient receptor potential cation channel subfamily M member 4 | -6.95 | -6.37 | N/A | N/A | N/A |
| Dolutegravir | TRPM4_HUMAN | transient receptor potential cation channel subfamily M member 4 | -8.30 | -10.07 | N/A | N/A | N/A |
| Metolazone | TRPM4_HUMAN | transient receptor potential cation channel subfamily M member 4 | -8.24 | -6.33 | N/A | N/A | N/A |
| Bendroflumethiazide | TRPM4_HUMAN | transient receptor potential cation channel subfamily M member 4 | -8.44 | -7.41 | N/A | N/A | N/A |
| Hydralazine | TRPM4_HUMAN | transient receptor potential cation channel subfamily M member 4 | -6.81 | -7.30 | N/A | N/A | N/A |
| Hydrochlorothiazide | TRPM8_FICAL | Uncharacterized protein | -7.60 | N/A | N/A | N/A | N/A |
| Dolutegravir | TRPM8_FICAL | Uncharacterized protein | -10.67 | N/A | N/A | N/A | N/A |
| Metolazone | TRPM8_FICAL | Uncharacterized protein | -9.70 | N/A | N/A | N/A | N/A |
| Bendroflumethiazide | TRPM8_FICAL | Uncharacterized protein | -10.38 | N/A | N/A | N/A | N/A |
| Hydralazine | TRPM8_FICAL | Uncharacterized protein | -6.84 | N/A | N/A | N/A | N/A |
| Hydrochlorothiazide | TRPV1_RAT | Transient receptor potential cation channel subfamily V member 1 | -6.16 | N/A | N/A | 31.25% | CHEMBL1779668 |
| Dolutegravir | TRPV1_RAT | Transient receptor potential cation channel subfamily V member 1 | -9.88 | N/A | N/A | 36.01% | CHEMBL1395445 |
| Metolazone | TRPV1_RAT | Transient receptor potential cation channel subfamily V member 1 | -8.51 | N/A | N/A | 48.42% | CHEMBL81925 |
| Bendroflumethiazide | TRPV1_RAT | Transient receptor potential cation channel subfamily V member 1 | -9.18 | N/A | N/A | 32.28% | CHEMBL1290373 |
| Hydralazine | TRPV1_RAT | Transient receptor potential cation channel subfamily V member 1 | -7.24 | N/A | N/A | 31.34% | CHEMBL342003 |
| Hydrochlorothiazide | TRPV2_RABIT | Transient receptor potential cation channel subfamily V member 2 | -7.06 | -7.24 | N/A | N/A | N/A |
| Dolutegravir | TRPV2_RABIT | Transient receptor potential cation channel subfamily V member 2 | -9.70 | -8.78 | N/A | N/A | N/A |
| Metolazone | TRPV2_RABIT | Transient receptor potential cation channel subfamily V member 2 | -7.24 | -8.46 | N/A | N/A | N/A |
| Bendroflumethiazide | TRPV2_RABIT | Transient receptor potential cation channel subfamily V member 2 | -9.42 | -8.90 | N/A | N/A | N/A |
| Hydralazine | TRPV2_RABIT | Transient receptor potential cation channel subfamily V member 2 | -6.94 | -6.85 | N/A | N/A | N/A |
| Hydrochlorothiazide | TRPV3_HUMAN | transient receptor potential cation channel subfamily V member 3 | -5.30 | -6.78 | N/A | 26.09% | CHEMBL3692265 |
| Dolutegravir | TRPV3_HUMAN | transient receptor potential cation channel subfamily V member 3 | -8.30 | -8.50 | N/A | 36.36% | CHEMBL3696422 |
| Metolazone | TRPV3_HUMAN | transient receptor potential cation channel subfamily V member 3 | -6.84 | -7.07 | N/A | 36.68% | CHEMBL3692265 |
| Bendroflumethiazide | TRPV3_HUMAN | transient receptor potential cation channel subfamily V member 3 | -7.84 | -8.01 | N/A | 30.45% | CHEMBL3692262 |
| Hydralazine | TRPV3_HUMAN | transient receptor potential cation channel subfamily V member 3 | -5.57 | -6.08 | N/A | 20.44% | CHEMBL3692278 |
| Hydrochlorothiazide | TRXR1_HUMAN | thioredoxin reductase 1 | -6.92 | -6.89 | -6.08 | N/A | N/A |
| Dolutegravir | TRXR1_HUMAN | thioredoxin reductase 1 | -8.90 | -9.00 | -8.48 | N/A | N/A |
| Metolazone | TRXR1_HUMAN | thioredoxin reductase 1 | -8.01 | -8.03 | -7.72 | N/A | N/A |
| Bendroflumethiazide | TRXR1_HUMAN | thioredoxin reductase 1 | -9.03 | -8.20 | -7.19 | N/A | N/A |
| Hydralazine | TRXR1_HUMAN | thioredoxin reductase 1 | -7.21 | -7.17 | -5.86 | N/A | N/A |
| Hydrochlorothiazide | TRY1_HUMAN | serine protease 1 | -5.48 | N/A | N/A | 31.11% | CHEMBL1160812 |
| Dolutegravir | TRY1_HUMAN | serine protease 1 | -7.47 | N/A | N/A | 39.70% | CHEMBL324485 |
| Metolazone | TRY1_HUMAN | serine protease 1 | -6.28 | N/A | N/A | 40.10% | CHEMBL1160812 |
| Bendroflumethiazide | TRY1_HUMAN | serine protease 1 | -7.07 | N/A | N/A | 42.42% | CHEMBL1160791 |
| Hydralazine | TRY1_HUMAN | serine protease 1 | -5.34 | N/A | N/A | 28.87% | CHEMBL96433 |