Etoricoxib+Indomethacin #147 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
Etoricoxib 5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.98 -9.35 -10.00 36.67% CHEMBL2419440
Indomethacin 5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.95 -9.22 -8.65 62.86% CHEMBL263700
Etoricoxib 5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.86 -8.83 N/A 38.26% CHEMBL91463
Indomethacin 5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.01 -8.20 N/A 53.79% CHEMBL267615
Etoricoxib 5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.74 -9.35 -8.46 46.86% CHEMBL3099899
Indomethacin 5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.03 -8.92 -9.29 49.69% CHEMBL221811
Etoricoxib 5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.84 -10.37 N/A 38.26% CHEMBL91463
Indomethacin 5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.36 -8.53 N/A 59.49% CHEMBL2260565
Etoricoxib AA1R_HUMAN adenosine A1 receptor -9.64 -9.37 -8.70 47.22% CHEMBL223828
Indomethacin AA1R_HUMAN adenosine A1 receptor -9.21 -8.81 -9.96 50.67% CHEMBL2435536
Etoricoxib AA2AR_HUMAN adenosine A2a receptor -9.61 -9.73 -9.96 54.36% CHEMBL448781
Indomethacin AA2AR_HUMAN adenosine A2a receptor -9.37 -9.57 -9.92 42.86% CHEMBL3677906
Etoricoxib ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.79 -9.72 -10.41 39.26% CHEMBL3582228
Indomethacin ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.64 -10.23 -9.76 54.07% CHEMBL4102333
Etoricoxib ACE_HUMAN angiotensin I converting enzyme -8.57 -8.67 -6.72 29.08% CHEMBL191
Indomethacin ACE_HUMAN angiotensin I converting enzyme -8.44 -8.58 -7.49 46.11% CHEMBL305388
Etoricoxib ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.11 N/A N/A 20.81% CHEMBL386114
Indomethacin ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.17 N/A N/A 33.80% CHEMBL386114
Etoricoxib ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.15 -6.81 -6.60 N/A N/A
Indomethacin ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -4.17 -2.49 -2.93 N/A N/A
Etoricoxib ACM1_HUMAN cholinergic receptor muscarinic 1 -9.45 -3.41 N/A 36.09% CHEMBL3600828
Indomethacin ACM1_HUMAN cholinergic receptor muscarinic 1 -7.97 1.86 N/A 50.00% CHEMBL3126661
Etoricoxib ACM4_HUMAN cholinergic receptor muscarinic 4 -9.52 -8.73 N/A 32.24% CHEMBL40391
Indomethacin ACM4_HUMAN cholinergic receptor muscarinic 4 -8.68 -9.94 N/A 43.75% CHEMBL104332
Etoricoxib ADRB2_HUMAN adrenoceptor beta 2 -9.43 -8.48 -9.72 42.14% CHEMBL1483308
Indomethacin ADRB2_HUMAN adrenoceptor beta 2 -8.76 -9.08 -8.71 49.69% CHEMBL444553
Etoricoxib AGTR2_HUMAN angiotensin II receptor type 2 -9.91 -8.98 -9.96 33.87% CHEMBL1017
Indomethacin AGTR2_HUMAN angiotensin II receptor type 2 -8.79 -9.13 -8.95 49.25% CHEMBL40381
Etoricoxib ALDR_HUMAN aldo-keto reductase family 1 member B -8.86 -9.39 -8.80 32.20% CHEMBL1917446
Indomethacin ALDR_HUMAN aldo-keto reductase family 1 member B -8.98 -8.72 -8.53 48.50% CHEMBL1944855
Etoricoxib AMPN_HUMAN alanyl aminopeptidase, membrane -9.06 -9.81 -8.43 22.67% CHEMBL1077591
Indomethacin AMPN_HUMAN alanyl aminopeptidase, membrane -8.25 -9.08 -8.48 44.66% CHEMBL1077591
Etoricoxib AOFA_HUMAN monoamine oxidase A -9.21 -9.94 -10.14 49.26% CHEMBL3652429
Indomethacin AOFA_HUMAN monoamine oxidase A -9.57 -10.12 -10.14 46.01% CHEMBL155350
Etoricoxib AOFB_HUMAN monoamine oxidase B -10.19 -9.50 -9.39 42.45% CHEMBL3398531
Indomethacin AOFB_HUMAN monoamine oxidase B -9.99 -10.20 -10.17 42.08% CHEMBL2333929
Etoricoxib BACE1_HUMAN beta-secretase 1 -7.96 -7.89 -8.87 41.30% CHEMBL1923751
Indomethacin BACE1_HUMAN beta-secretase 1 -7.31 -7.70 -9.12 42.36% CHEMBL556087
Etoricoxib CAH2_HUMAN carbonic anhydrase 2 -8.02 -9.08 -7.39 50.43% CHEMBL3763387
Indomethacin CAH2_HUMAN carbonic anhydrase 2 -7.55 -8.64 -8.92 49.69% CHEMBL2335176
Etoricoxib CASP1_HUMAN caspase 1 -6.11 -7.50 -6.69 33.33% CHEMBL269599
Indomethacin CASP1_HUMAN caspase 1 -6.27 -6.91 -6.82 50.60% CHEMBL1221644
Etoricoxib CDK5_HUMAN cyclin dependent kinase 5 -7.96 -8.69 -7.04 40.82% CHEMBL1972988
Indomethacin CDK5_HUMAN cyclin dependent kinase 5 -8.26 -9.52 -9.53 48.52% CHEMBL1970352
Etoricoxib CHLE_HUMAN butyrylcholinesterase -9.50 -9.12 -9.01 42.74% CHEMBL3954861
Indomethacin CHLE_HUMAN butyrylcholinesterase -9.17 -9.33 -9.45 51.85% CHEMBL3628186
Etoricoxib CNR1_HUMAN cannabinoid receptor 1 -7.92 -10.30 -10.40 54.48% CHEMBL247103
Indomethacin CNR1_HUMAN cannabinoid receptor 1 -7.56 -9.31 -10.10 56.76% CHEMBL2206858
Etoricoxib CNR2_HUMAN cannabinoid receptor 2 -9.79 -9.85 N/A 47.13% CHEMBL577986
Indomethacin CNR2_HUMAN cannabinoid receptor 2 -9.23 -9.20 N/A 92.70% CHEMBL72324
Etoricoxib COLI_HUMAN proopiomelanocortin -9.10 -8.92 -8.54 N/A N/A
Indomethacin COLI_HUMAN proopiomelanocortin -8.57 -8.55 -8.17 N/A N/A
Etoricoxib COMT_HUMAN catechol-O-methyltransferase -6.75 -6.36 -6.20 34.69% CHEMBL3798286
Indomethacin COMT_HUMAN catechol-O-methyltransferase -6.23 -6.16 -7.30 40.72% CHEMBL3425731
Etoricoxib CRP_HUMAN C-reactive protein -6.56 -6.52 N/A N/A N/A
Indomethacin CRP_HUMAN C-reactive protein -6.41 -5.84 N/A N/A N/A
Etoricoxib CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.52 N/A N/A 24.61% CHEMBL3342269
Indomethacin CXCR1_HUMAN C-X-C motif chemokine receptor 1 -1.27 N/A N/A 28.57% CHEMBL518857
Etoricoxib CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.98 -7.25 -8.24 26.46% CHEMBL3627862
Indomethacin CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.31 -6.94 -7.89 39.18% CHEMBL1644072
Etoricoxib DRD2_HUMAN dopamine receptor D2 -8.80 N/A N/A 38.26% CHEMBL91463
Indomethacin DRD2_HUMAN dopamine receptor D2 -8.01 N/A N/A 53.99% CHEMBL245764
Etoricoxib DRD3_HUMAN dopamine receptor D3 -7.85 N/A N/A 36.84% CHEMBL244773
Indomethacin DRD3_HUMAN dopamine receptor D3 -8.18 N/A N/A 62.43% CHEMBL461571
Etoricoxib DRD4_HUMAN dopamine receptor D4 -8.89 -9.07 N/A 33.51% CHEMBL91553
Indomethacin DRD4_HUMAN dopamine receptor D4 -8.83 -8.63 N/A 43.64% CHEMBL460854
Etoricoxib EDN1_HUMAN endothelin 1 -7.86 N/A N/A N/A N/A
Indomethacin EDN1_HUMAN endothelin 1 -7.02 N/A N/A N/A N/A
Etoricoxib ESR1_HUMAN estrogen receptor 1 -9.12 -9.58 -9.43 46.46% CHEMBL371012
Indomethacin ESR1_HUMAN estrogen receptor 1 -6.88 -8.02 -8.01 62.90% CHEMBL396118
Etoricoxib FABP5_HUMAN fatty acid binding protein 5 -8.66 -7.10 -6.31 34.59% CHEMBL3971182
Indomethacin FABP5_HUMAN fatty acid binding protein 5 -9.13 -6.06 -6.31 35.86% CHEMBL3950316
Etoricoxib FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.14 N/A N/A 40.57% CHEMBL1997822
Indomethacin FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.57 N/A N/A 48.52% CHEMBL1970352
Etoricoxib GLRA3_HUMAN glycine receptor alpha 3 -8.87 -9.04 -8.41 20.97% CHEMBL4070615
Etoricoxib GLRA3_HUMAN glycine receptor alpha 3 -9.20 N/A N/A 20.97% CHEMBL4070615
Indomethacin GLRA3_HUMAN glycine receptor alpha 3 -8.55 -8.22 -8.18 27.27% CHEMBL4070615
Indomethacin GLRA3_HUMAN glycine receptor alpha 3 -9.21 N/A N/A 27.27% CHEMBL4070615
Etoricoxib GRM5_HUMAN glutamate metabotropic receptor 5 -6.90 -8.85 -7.45 46.21% CHEMBL3603921
Indomethacin GRM5_HUMAN glutamate metabotropic receptor 5 -5.57 -5.30 -5.48 44.03% CHEMBL377706
Etoricoxib HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.07 -7.59 -7.18 53.91% CHEMBL3917928
Indomethacin HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.72 -6.64 -6.63 34.74% CHEMBL3425948
Etoricoxib HRH1_HUMAN histamine receptor H1 -7.08 N/A N/A 34.43% CHEMBL1784685
Indomethacin HRH1_HUMAN histamine receptor H1 -5.94 N/A N/A 50.58% CHEMBL589389
Etoricoxib HYES_HUMAN epoxide hydrolase 2 -8.37 -10.09 -8.61 34.64% CHEMBL567703
Indomethacin HYES_HUMAN epoxide hydrolase 2 -8.11 -8.74 -8.18 40.59% CHEMBL3114610
Etoricoxib IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.27 N/A N/A 42.50% CHEMBL4061406
Indomethacin IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.29 N/A N/A 38.98% CHEMBL1761510
Etoricoxib MDR1_HUMAN ATP binding cassette subfamily B member 1 -9.00 -8.50 N/A 34.92% CHEMBL1642
Indomethacin MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.27 -8.39 N/A 47.22% CHEMBL3354882
Etoricoxib MIF_HUMAN macrophage migration inhibitory factor -6.51 -7.37 -6.83 30.37% CHEMBL3906441
Indomethacin MIF_HUMAN macrophage migration inhibitory factor -6.99 -6.75 -6.24 32.24% CHEMBL1289631
Etoricoxib MK01_HUMAN mitogen-activated protein kinase 1 -8.04 -8.01 -7.63 43.79% CHEMBL3944658
Indomethacin MK01_HUMAN mitogen-activated protein kinase 1 -8.20 -8.47 -7.51 42.54% CHEMBL2005528
Etoricoxib MK03_HUMAN mitogen-activated protein kinase 3 -8.30 -9.06 -8.33 36.99% CHEMBL1089119
Indomethacin MK03_HUMAN mitogen-activated protein kinase 3 -8.69 -9.01 -7.86 41.85% CHEMBL3798015
Etoricoxib MTOR_HUMAN mechanistic target of rapamycin kinase -9.20 -9.69 -9.37 47.88% CHEMBL3640942
Indomethacin MTOR_HUMAN mechanistic target of rapamycin kinase -9.04 -9.56 -8.97 40.38% CHEMBL1089653
Etoricoxib NEP_HUMAN membrane metalloendopeptidase -8.25 -6.96 -8.25 25.26% CHEMBL4085997
Indomethacin NEP_HUMAN membrane metalloendopeptidase -7.48 -7.58 -8.41 46.11% CHEMBL305388
Etoricoxib NK1R_HUMAN tachykinin receptor 1 -8.49 -9.21 -8.42 46.56% CHEMBL21122
Indomethacin NK1R_HUMAN tachykinin receptor 1 -8.65 -8.88 -8.59 52.55% CHEMBL21787
Etoricoxib NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.54 -9.92 -8.83 21.97% CHEMBL2333945
Indomethacin NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.03 -9.52 -7.00 21.43% CHEMBL284237
Etoricoxib NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.26 -9.01 -9.98 32.61% CHEMBL570613
Indomethacin NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.38 -9.35 -9.60 43.23% CHEMBL444384
Etoricoxib NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.22 -10.01 -8.83 30.37% CHEMBL164322
Indomethacin NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.83 -9.39 -7.00 38.67% CHEMBL163916
Etoricoxib NOS1_HUMAN nitric oxide synthase 1 -8.00 -7.40 -7.60 37.50% CHEMBL4084332
Indomethacin NOS1_HUMAN nitric oxide synthase 1 -8.92 -8.92 -8.81 36.41% CHEMBL474637
Etoricoxib NOS2_HUMAN nitric oxide synthase 2 -7.50 -8.50 -8.57 34.29% CHEMBL1800534
Indomethacin NOS2_HUMAN nitric oxide synthase 2 -8.01 -9.02 -7.86 35.84% CHEMBL1221659
Etoricoxib NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.77 -9.90 -9.99 42.22% CHEMBL2152276
Indomethacin NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.46 -9.57 -9.61 51.24% CHEMBL3661550
Etoricoxib OPRD_HUMAN opioid receptor delta 1 -8.26 -7.60 -8.08 33.16% CHEMBL2347239
Indomethacin OPRD_HUMAN opioid receptor delta 1 -8.07 -6.86 -7.40 46.41% CHEMBL389072
Etoricoxib OPRK_HUMAN opioid receptor kappa 1 -9.69 -8.94 -8.47 38.07% CHEMBL1818237
Indomethacin OPRK_HUMAN opioid receptor kappa 1 -9.39 -8.97 -7.95 50.33% CHEMBL212574
Etoricoxib OPRM_MOUSE Mu-type opioid receptor -9.05 -7.71 N/A 25.36% CHEMBL2147903
Indomethacin OPRM_MOUSE Mu-type opioid receptor -8.50 -8.12 N/A 45.83% CHEMBL2147917
Etoricoxib OPRX_HUMAN opioid related nociceptin receptor 1 -7.79 -8.12 -7.33 34.43% CHEMBL1784685
Indomethacin OPRX_HUMAN opioid related nociceptin receptor 1 -7.49 -7.25 -7.46 50.33% CHEMBL212574
Etoricoxib P2RX3_HUMAN purinergic receptor P2X 3 -6.06 -6.10 -6.31 30.41% CHEMBL3643305
Indomethacin P2RX3_HUMAN purinergic receptor P2X 3 -6.23 -6.00 -6.19 46.19% CHEMBL3978296
Etoricoxib P2Y12_HUMAN purinergic receptor P2Y12 -9.98 -7.71 -8.05 31.00% CHEMBL3322630
Indomethacin P2Y12_HUMAN purinergic receptor P2Y12 -8.52 -7.16 -7.66 42.73% CHEMBL3325895
Etoricoxib PAR1_HUMAN coagulation factor II thrombin receptor -10.14 N/A N/A 40.59% CHEMBL231942
Indomethacin PAR1_HUMAN coagulation factor II thrombin receptor -6.50 N/A N/A 40.36% CHEMBL7610
Etoricoxib PDE4B_HUMAN phosphodiesterase 4B -9.54 -9.64 -9.65 55.88% CHEMBL1957298
Indomethacin PDE4B_HUMAN phosphodiesterase 4B -9.30 -9.28 -9.17 43.48% CHEMBL290191
Etoricoxib PDE5A_HUMAN phosphodiesterase 5A -9.47 -10.07 -9.56 38.38% CHEMBL3742354
Indomethacin PDE5A_HUMAN phosphodiesterase 5A -9.11 -9.95 -9.38 46.00% CHEMBL245850
Etoricoxib PERM_HUMAN myeloperoxidase -8.48 -8.66 -8.34 23.08% CHEMBL2347182
Indomethacin PERM_HUMAN myeloperoxidase -8.42 -8.77 -8.79 38.99% CHEMBL2347029
Etoricoxib PGH1_SHEEP Prostaglandin G/H synthase 1 -7.06 -6.79 -8.70 41.36% CHEMBL389379
Indomethacin PGH1_SHEEP Prostaglandin G/H synthase 1 -6.52 -7.10 -8.65 100.00% CHEMBL6
Etoricoxib PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.46 -8.41 -11.14 100.00% CHEMBL416146
Indomethacin PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -4.74 -5.42 -7.64 100.00% CHEMBL6
Etoricoxib PPAP_HUMAN acid phosphatase 3 -8.08 N/A N/A 11.04% CHEMBL453954
Indomethacin PPAP_HUMAN acid phosphatase 3 -8.76 N/A N/A 25.44% CHEMBL507996
Etoricoxib PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.05 -9.14 -8.27 41.67% CHEMBL3695769
Indomethacin PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.28 -8.72 -8.41 80.00% CHEMBL360762
Etoricoxib PRGR_HUMAN progesterone receptor -3.45 -0.80 -8.28 37.50% CHEMBL3605932
Indomethacin PRGR_HUMAN progesterone receptor -5.84 -6.69 -8.93 45.21% CHEMBL3622996
Etoricoxib PTGES_HUMAN prostaglandin E synthase -7.61 N/A N/A 51.09% CHEMBL585295
Indomethacin PTGES_HUMAN prostaglandin E synthase -6.55 N/A N/A 53.76% CHEMBL360114
Etoricoxib SC6A4_HUMAN solute carrier family 6 member 4 -9.32 -9.16 -8.96 36.67% CHEMBL2419440
Indomethacin SC6A4_HUMAN solute carrier family 6 member 4 -9.36 -8.74 -9.19 62.43% CHEMBL461571
Etoricoxib SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.51 N/A N/A 46.11% CHEMBL3682760
Indomethacin SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.34 N/A N/A 59.52% CHEMBL3941974
Etoricoxib TLR4_HUMAN toll like receptor 4 -7.97 -8.33 -7.72 24.57% CHEMBL3823499
Indomethacin TLR4_HUMAN toll like receptor 4 -7.49 -7.73 -7.18 38.66% CHEMBL1223751
Etoricoxib TNFA_HUMAN tumor necrosis factor -7.68 N/A N/A 31.91% CHEMBL3640372
Indomethacin TNFA_HUMAN tumor necrosis factor -7.50 N/A N/A 46.88% CHEMBL1392142
Etoricoxib TRBM_HUMAN thrombomodulin -8.45 -7.31 N/A N/A N/A
Indomethacin TRBM_HUMAN thrombomodulin -6.75 -6.81 N/A N/A N/A
Etoricoxib TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.96 -7.06 N/A N/A N/A
Indomethacin TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.51 -6.53 N/A N/A N/A
Etoricoxib TRPM8_FICAL Uncharacterized protein -9.56 N/A N/A N/A N/A
Indomethacin TRPM8_FICAL Uncharacterized protein -9.14 N/A N/A N/A N/A
Etoricoxib TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.22 N/A N/A 40.26% CHEMBL276153
Indomethacin TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.32 N/A N/A 50.53% CHEMBL438345
Etoricoxib TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.46 -6.89 N/A N/A N/A
Indomethacin TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.17 -7.86 N/A N/A N/A
Etoricoxib TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.19 -8.16 N/A 47.27% CHEMBL3692319
Indomethacin TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.80 -6.76 N/A 35.94% CHEMBL3664218
Etoricoxib TRXR1_HUMAN thioredoxin reductase 1 -7.95 -7.52 -7.05 N/A N/A
Indomethacin TRXR1_HUMAN thioredoxin reductase 1 -8.00 -7.70 -6.46 N/A N/A
Etoricoxib TRY1_HUMAN serine protease 1 -7.28 N/A N/A 38.36% CHEMBL92883
Indomethacin TRY1_HUMAN serine protease 1 -6.06 N/A N/A 52.02% CHEMBL422722