Samo testing 1 #207 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Ligand Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
Diclophenac 5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.19 -8.46 -8.22 30.37% CHEMBL71091
Morphine 5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.23 -9.04 -8.28 52.63% CHEMBL29951
Diclophenac 5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.06 -8.28 N/A 46.53% CHEMBL415
Morphine 5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.82 -7.97 N/A 51.96% CHEMBL3695438
Diclophenac 5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.22 -8.68 -8.66 46.53% CHEMBL415
Morphine 5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.43 -8.69 -8.74 51.06% CHEMBL445106
Diclophenac 5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.44 -8.58 N/A 46.53% CHEMBL415
Morphine 5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.41 -9.00 N/A 51.06% CHEMBL445106
Diclophenac AA1R_HUMAN adenosine A1 receptor -7.29 -7.36 -7.74 29.75% CHEMBL2260644
Morphine AA1R_HUMAN adenosine A1 receptor -7.66 -8.26 -4.65 29.96% CHEMBL3317575
Diclophenac AA2AR_HUMAN adenosine A2a receptor -7.76 -7.71 -8.16 34.91% CHEMBL603094
Morphine AA2AR_HUMAN adenosine A2a receptor -8.62 -9.48 -10.40 34.24% CHEMBL559023
Diclophenac ACES_HUMAN acetylcholinesterase (Cartwright blood group) -8.71 -8.16 -9.38 35.43% CHEMBL1085858
Morphine ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.76 -8.85 -8.78 66.01% CHEMBL569978
Diclophenac ACE_HUMAN angiotensin I converting enzyme -7.45 -7.41 -7.29 29.63% CHEMBL23849
Morphine ACE_HUMAN angiotensin I converting enzyme -8.53 -8.74 -7.71 37.12% CHEMBL1165
Diclophenac ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.09 N/A N/A 17.01% CHEMBL386114
Morphine ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.08 N/A N/A 21.72% CHEMBL386114
Diclophenac ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.54 -8.23 -6.56 N/A N/A
Morphine ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.44 -3.29 -5.96 N/A N/A
Diclophenac ACM1_HUMAN cholinergic receptor muscarinic 1 -8.76 -4.91 N/A 46.53% CHEMBL415
Morphine ACM1_HUMAN cholinergic receptor muscarinic 1 -10.02 3.46 N/A 45.66% CHEMBL343236
Diclophenac ACM4_HUMAN cholinergic receptor muscarinic 4 -8.67 -7.51 N/A 46.53% CHEMBL415
Morphine ACM4_HUMAN cholinergic receptor muscarinic 4 -9.37 -6.22 N/A 39.27% CHEMBL1346
Diclophenac ADRB2_HUMAN adrenoceptor beta 2 -7.35 -8.61 -8.50 44.95% CHEMBL154419
Morphine ADRB2_HUMAN adrenoceptor beta 2 -7.41 -7.50 -8.85 43.26% CHEMBL513389
Diclophenac AGTR2_HUMAN angiotensin II receptor type 2 -7.57 -7.50 -7.34 25.67% CHEMBL40381
Morphine AGTR2_HUMAN angiotensin II receptor type 2 -8.15 -7.81 -7.80 42.67% CHEMBL154057
Diclophenac ALDR_HUMAN aldo-keto reductase family 1 member B -7.93 -7.61 -7.76 35.23% CHEMBL77283
Morphine ALDR_HUMAN aldo-keto reductase family 1 member B -7.87 -6.59 -7.12 32.54% CHEMBL311679
Diclophenac AMPN_HUMAN alanyl aminopeptidase, membrane -7.15 -8.06 -7.99 29.69% CHEMBL3764432
Morphine AMPN_HUMAN alanyl aminopeptidase, membrane -8.15 -8.23 -8.00 33.78% CHEMBL1782887
Diclophenac AOFA_HUMAN monoamine oxidase A -8.04 -8.37 -8.67 35.65% CHEMBL1642672
Morphine AOFA_HUMAN monoamine oxidase A -8.66 -9.39 -8.25 34.30% CHEMBL4073457
Diclophenac AOFB_HUMAN monoamine oxidase B -8.49 -8.36 -8.88 36.44% CHEMBL3319243
Morphine AOFB_HUMAN monoamine oxidase B -9.87 -8.60 -9.19 35.75% CHEMBL4113794
Diclophenac BACE1_HUMAN beta-secretase 1 -6.69 -6.82 -7.46 33.06% CHEMBL3627961
Morphine BACE1_HUMAN beta-secretase 1 -6.94 -7.39 -8.50 43.53% CHEMBL3955763
Diclophenac CAH2_HUMAN carbonic anhydrase 2 -7.31 -7.42 -7.15 44.58% CHEMBL23832
Morphine CAH2_HUMAN carbonic anhydrase 2 -7.53 -7.29 -6.77 40.44% CHEMBL3786651
Diclophenac CASP1_HUMAN caspase 1 -5.75 -6.77 -5.58 32.35% CHEMBL78154
Morphine CASP1_HUMAN caspase 1 -6.89 -7.24 -6.96 34.62% CHEMBL3898379
Diclophenac CDK5_HUMAN cyclin dependent kinase 5 -7.33 -7.84 -8.35 46.43% CHEMBL1991734
Morphine CDK5_HUMAN cyclin dependent kinase 5 -6.44 -6.87 -5.18 29.55% CHEMBL422897
Diclophenac CHLE_HUMAN butyrylcholinesterase -8.65 -8.20 -8.70 45.59% CHEMBL3087676
Morphine CHLE_HUMAN butyrylcholinesterase -9.46 -9.69 -9.90 43.52% CHEMBL366411
Diclophenac CNR1_HUMAN cannabinoid receptor 1 -7.80 -8.14 -8.82 46.55% CHEMBL3936647
Morphine CNR1_HUMAN cannabinoid receptor 1 -8.92 -8.18 -8.41 56.82% CHEMBL303479
Diclophenac CNR2_HUMAN cannabinoid receptor 2 -8.58 -8.70 N/A 38.18% CHEMBL2326302
Morphine CNR2_HUMAN cannabinoid receptor 2 -9.73 -9.02 N/A 56.82% CHEMBL303479
Diclophenac COLI_HUMAN proopiomelanocortin -7.40 -7.19 -7.23 N/A N/A
Morphine COLI_HUMAN proopiomelanocortin -8.00 -8.20 -6.57 N/A N/A
Diclophenac COMT_HUMAN catechol-O-methyltransferase -6.26 -6.12 -6.36 22.76% CHEMBL1324
Morphine COMT_HUMAN catechol-O-methyltransferase -6.29 -6.70 -5.75 22.70% CHEMBL3819488
Diclophenac CRP_HUMAN C-reactive protein -5.84 -5.77 N/A N/A N/A
Morphine CRP_HUMAN C-reactive protein -6.20 -6.58 N/A N/A N/A
Diclophenac CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.66 N/A N/A 100.00% CHEMBL139
Morphine CXCR1_HUMAN C-X-C motif chemokine receptor 1 -9.03 N/A N/A 28.19% CHEMBL490688
Diclophenac CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.70 -6.68 -7.09 28.18% CHEMBL3908835
Morphine CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.80 -6.47 -7.22 33.92% CHEMBL2029611
Diclophenac DRD2_HUMAN dopamine receptor D2 -7.22 N/A N/A 46.53% CHEMBL415
Morphine DRD2_HUMAN dopamine receptor D2 -7.56 N/A N/A 55.49% CHEMBL170976
Diclophenac DRD3_HUMAN dopamine receptor D3 -7.96 N/A N/A 46.53% CHEMBL415
Morphine DRD3_HUMAN dopamine receptor D3 -8.83 N/A N/A 55.49% CHEMBL170976
Diclophenac DRD4_HUMAN dopamine receptor D4 -8.10 -8.17 N/A 38.84% CHEMBL322326
Morphine DRD4_HUMAN dopamine receptor D4 -7.98 -8.26 N/A 47.67% CHEMBL132261
Diclophenac EDN1_HUMAN endothelin 1 -6.83 N/A N/A N/A N/A
Morphine EDN1_HUMAN endothelin 1 -7.23 N/A N/A N/A N/A
Diclophenac ESR1_HUMAN estrogen receptor 1 -7.95 -7.67 -7.73 36.63% CHEMBL3234617
Morphine ESR1_HUMAN estrogen receptor 1 -9.00 -8.76 -8.75 44.56% CHEMBL178559
Diclophenac FABP5_HUMAN fatty acid binding protein 5 -7.55 -5.19 -5.40 34.48% CHEMBL212860
Morphine FABP5_HUMAN fatty acid binding protein 5 -8.76 -6.97 -6.27 30.54% CHEMBL437489
Diclophenac FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.93 N/A N/A 46.43% CHEMBL1991734
Morphine FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.44 N/A N/A 28.72% CHEMBL221753
Diclophenac GLRA3_HUMAN glycine receptor alpha 3 -8.85 -8.83 -8.93 13.55% CHEMBL4074873
Diclophenac GLRA3_HUMAN glycine receptor alpha 3 -8.66 N/A N/A 13.55% CHEMBL4074873
Morphine GLRA3_HUMAN glycine receptor alpha 3 -8.35 -8.10 -7.91 24.31% CHEMBL4070615
Morphine GLRA3_HUMAN glycine receptor alpha 3 -9.51 N/A N/A 24.31% CHEMBL4070615
Diclophenac GRM5_HUMAN glutamate metabotropic receptor 5 -7.67 -7.54 -6.82 37.01% CHEMBL239594
Morphine GRM5_HUMAN glutamate metabotropic receptor 5 -7.11 -4.70 -4.34 33.15% CHEMBL1289626
Diclophenac HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.28 -6.68 -7.62 30.18% CHEMBL572528
Morphine HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.22 -6.78 -6.30 23.72% CHEMBL3698265
Diclophenac HRH1_HUMAN histamine receptor H1 -8.69 N/A N/A 47.06% CHEMBL2158825
Morphine HRH1_HUMAN histamine receptor H1 -4.08 N/A N/A 45.25% CHEMBL476839
Diclophenac HYES_HUMAN epoxide hydrolase 2 -8.00 -8.24 -6.89 37.61% CHEMBL478147
Morphine HYES_HUMAN epoxide hydrolase 2 -8.21 -8.04 -8.05 42.70% CHEMBL1672128
Diclophenac IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.95 N/A N/A 29.66% CHEMBL3823257
Morphine IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.24 N/A N/A 31.51% CHEMBL1672879
Diclophenac MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.33 -7.51 N/A 41.05% CHEMBL72
Morphine MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.46 -7.36 N/A 100.00% CHEMBL70
Diclophenac MIF_HUMAN macrophage migration inhibitory factor -6.09 -6.49 -5.81 25.89% CHEMBL223319
Morphine MIF_HUMAN macrophage migration inhibitory factor -5.90 -6.55 -6.62 30.43% CHEMBL2375651
Diclophenac MK01_HUMAN mitogen-activated protein kinase 1 -7.07 -7.62 -7.94 33.06% CHEMBL2003341
Morphine MK01_HUMAN mitogen-activated protein kinase 1 -6.98 -7.80 -7.41 39.53% CHEMBL555017
Diclophenac MK03_HUMAN mitogen-activated protein kinase 3 -7.75 -7.65 -7.67 25.49% CHEMBL3798624
Morphine MK03_HUMAN mitogen-activated protein kinase 3 -6.44 -6.79 -7.50 39.53% CHEMBL555017
Diclophenac MTOR_HUMAN mechanistic target of rapamycin kinase -7.87 -8.29 -8.13 37.76% CHEMBL2348411
Morphine MTOR_HUMAN mechanistic target of rapamycin kinase -8.52 -8.62 -8.41 33.33% CHEMBL4074753
Diclophenac NEP_HUMAN membrane metalloendopeptidase -7.82 -6.90 -7.67 28.21% CHEMBL225085
Morphine NEP_HUMAN membrane metalloendopeptidase -8.18 -8.44 -7.97 38.24% CHEMBL2062138
Diclophenac NK1R_HUMAN tachykinin receptor 1 -7.55 -8.35 -7.84 34.69% CHEMBL92032
Morphine NK1R_HUMAN tachykinin receptor 1 -8.75 -7.09 -7.95 45.41% CHEMBL2114439
Diclophenac NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.50 -8.80 -8.42 15.54% CHEMBL2333945
Morphine NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.65 -7.73 -7.52 25.65% CHEMBL284237
Diclophenac NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.62 -8.19 -9.62 25.53% CHEMBL161977
Morphine NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.48 -9.52 -6.65 39.44% CHEMBL3357783
Diclophenac NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.66 -8.55 -8.42 28.82% CHEMBL401253
Morphine NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.65 -7.70 -7.52 20.81% CHEMBL419399
Diclophenac NOS1_HUMAN nitric oxide synthase 1 -8.26 -8.29 -8.68 34.82% CHEMBL49881
Morphine NOS1_HUMAN nitric oxide synthase 1 -8.04 -7.57 -8.70 34.50% CHEMBL42968
Diclophenac NOS2_HUMAN nitric oxide synthase 2 -7.09 -7.50 -8.02 34.82% CHEMBL49881
Morphine NOS2_HUMAN nitric oxide synthase 2 -6.89 -8.84 -7.90 34.50% CHEMBL42968
Diclophenac NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.08 -8.11 -8.12 46.43% CHEMBL1991734
Morphine NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.40 -8.00 -7.70 39.31% CHEMBL444109
Diclophenac OPRD_HUMAN opioid receptor delta 1 -7.03 -6.28 -7.00 39.26% CHEMBL1642757
Morphine OPRD_HUMAN opioid receptor delta 1 -7.14 -6.79 -7.36 100.00% CHEMBL70
Diclophenac OPRK_HUMAN opioid receptor kappa 1 -8.51 -8.39 -7.73 39.26% CHEMBL1642757
Morphine OPRK_HUMAN opioid receptor kappa 1 -9.06 -8.55 -7.70 100.00% CHEMBL70
Diclophenac OPRM_MOUSE Mu-type opioid receptor -7.68 -7.10 N/A 30.19% CHEMBL596
Morphine OPRM_MOUSE Mu-type opioid receptor -8.29 -8.66 N/A 100.00% CHEMBL70
Diclophenac OPRX_HUMAN opioid related nociceptin receptor 1 -7.36 -7.11 -6.85 34.78% CHEMBL317152
Morphine OPRX_HUMAN opioid related nociceptin receptor 1 -8.07 -7.12 -7.42 94.38% CHEMBL3262362
Diclophenac P2RX3_HUMAN purinergic receptor P2X 3 -5.89 -4.93 -5.45 45.71% CHEMBL3958199
Morphine P2RX3_HUMAN purinergic receptor P2X 3 -6.39 -5.93 -6.38 35.47% CHEMBL3679847
Diclophenac P2Y12_HUMAN purinergic receptor P2Y12 -8.30 -6.08 -7.72 30.00% CHEMBL223344
Morphine P2Y12_HUMAN purinergic receptor P2Y12 -6.65 -4.47 -6.12 28.47% CHEMBL2172277
Diclophenac PAR1_HUMAN coagulation factor II thrombin receptor -8.31 N/A N/A 29.75% CHEMBL2049115
Morphine PAR1_HUMAN coagulation factor II thrombin receptor -9.16 N/A N/A 34.35% CHEMBL3086083
Diclophenac PDE4B_HUMAN phosphodiesterase 4B -8.10 -8.03 -8.13 51.82% CHEMBL3315269
Morphine PDE4B_HUMAN phosphodiesterase 4B -8.01 -7.41 -8.38 45.95% CHEMBL144499
Diclophenac PDE5A_HUMAN phosphodiesterase 5A -7.21 -8.35 -7.97 28.36% CHEMBL332898
Morphine PDE5A_HUMAN phosphodiesterase 5A -7.82 -8.14 -8.24 31.75% CHEMBL190423
Diclophenac PERM_HUMAN myeloperoxidase -7.60 -7.78 -7.78 41.57% CHEMBL686
Morphine PERM_HUMAN myeloperoxidase -7.90 -7.96 -8.02 35.57% CHEMBL490
Diclophenac PGH1_SHEEP Prostaglandin G/H synthase 1 -6.22 -8.31 -8.48 100.00% CHEMBL139
Morphine PGH1_SHEEP Prostaglandin G/H synthase 1 -3.16 -7.62 -7.03 34.85% CHEMBL229957
Diclophenac PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.37 -7.98 -8.14 100.00% CHEMBL139
Morphine PGH2_HUMAN prostaglandin-endoperoxide synthase 2 1.36 -6.24 -6.70 34.92% CHEMBL13988
Diclophenac PPAP_HUMAN acid phosphatase 3 -7.69 N/A N/A 17.24% CHEMBL501717
Morphine PPAP_HUMAN acid phosphatase 3 -8.39 N/A N/A 20.39% CHEMBL507996
Diclophenac PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.57 -7.17 -7.92 38.89% CHEMBL167963
Morphine PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.50 -5.87 -6.23 43.24% CHEMBL1836977
Diclophenac PRGR_HUMAN progesterone receptor -8.19 -8.40 -7.81 45.87% CHEMBL117612
Morphine PRGR_HUMAN progesterone receptor -9.04 -9.47 -8.73 40.72% CHEMBL51933
Diclophenac PTGES_HUMAN prostaglandin E synthase -6.52 N/A N/A 35.14% CHEMBL1683859
Morphine PTGES_HUMAN prostaglandin E synthase -6.74 N/A N/A 37.75% CHEMBL3753433
Diclophenac SC6A4_HUMAN solute carrier family 6 member 4 -8.20 -8.33 -8.76 46.53% CHEMBL415
Morphine SC6A4_HUMAN solute carrier family 6 member 4 -9.44 -9.20 -9.29 46.48% CHEMBL434728
Diclophenac SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.61 N/A N/A 37.41% CHEMBL3581050
Morphine SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.25 N/A N/A 40.00% CHEMBL3662107
Diclophenac TLR4_HUMAN toll like receptor 4 -7.37 -7.23 -7.52 23.74% CHEMBL2419459
Morphine TLR4_HUMAN toll like receptor 4 -8.26 -8.29 -7.17 37.84% CHEMBL3261029
Diclophenac TNFA_HUMAN tumor necrosis factor -7.40 N/A N/A 30.83% CHEMBL1612423
Morphine TNFA_HUMAN tumor necrosis factor -7.88 N/A N/A 54.46% CHEMBL2337619
Diclophenac TRBM_HUMAN thrombomodulin -6.91 -6.85 N/A N/A N/A
Morphine TRBM_HUMAN thrombomodulin -7.23 -7.14 N/A N/A N/A
Diclophenac TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.40 -6.18 N/A N/A N/A
Morphine TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.73 -6.69 N/A N/A N/A
Diclophenac TRPM8_FICAL Uncharacterized protein -8.27 N/A N/A N/A N/A
Morphine TRPM8_FICAL Uncharacterized protein -8.65 N/A N/A N/A N/A
Diclophenac TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.36 N/A N/A 37.74% CHEMBL258265
Morphine TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.83 N/A N/A 42.71% CHEMBL97968
Diclophenac TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.84 -7.88 N/A N/A N/A
Morphine TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.54 -8.15 N/A N/A N/A
Diclophenac TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.34 -6.87 N/A 30.89% CHEMBL3828278
Morphine TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.52 -7.86 N/A 44.88% CHEMBL3664218
Diclophenac TRXR1_HUMAN thioredoxin reductase 1 -7.83 -7.25 -6.24 N/A N/A
Morphine TRXR1_HUMAN thioredoxin reductase 1 -8.46 -8.10 -7.03 N/A N/A
Diclophenac TRY1_HUMAN serine protease 1 -6.30 N/A N/A 34.23% CHEMBL3926197
Morphine TRY1_HUMAN serine protease 1 -6.01 N/A N/A 33.22% CHEMBL73970