Etoricoxib #144 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.98 -9.35 -10.00 36.67% CHEMBL2419440
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.86 -8.83 N/A 38.26% CHEMBL91463
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.74 -9.35 -8.46 46.86% CHEMBL3099899
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.84 -10.37 N/A 38.26% CHEMBL91463
AA1R_HUMAN adenosine A1 receptor -9.64 -9.37 -8.70 47.22% CHEMBL223828
AA2AR_HUMAN adenosine A2a receptor -9.61 -9.73 -9.96 54.36% CHEMBL448781
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.79 -9.72 -10.41 39.26% CHEMBL3582228
ACE_HUMAN angiotensin I converting enzyme -8.57 -8.67 -6.72 29.08% CHEMBL191
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.11 N/A N/A 20.81% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.15 -6.81 -6.60 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.45 -3.41 N/A 36.09% CHEMBL3600828
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.52 -8.73 N/A 32.24% CHEMBL40391
ADRB2_HUMAN adrenoceptor beta 2 -9.43 -8.48 -9.72 42.14% CHEMBL1483308
AGTR2_HUMAN angiotensin II receptor type 2 -9.91 -8.98 -9.96 33.87% CHEMBL1017
ALDR_HUMAN aldo-keto reductase family 1 member B -8.86 -9.39 -8.80 32.20% CHEMBL1917446
AMPN_HUMAN alanyl aminopeptidase, membrane -9.06 -9.81 -8.43 22.67% CHEMBL1077591
AOFA_HUMAN monoamine oxidase A -9.21 -9.94 -10.14 49.26% CHEMBL3652429
AOFB_HUMAN monoamine oxidase B -10.19 -9.50 -9.39 42.45% CHEMBL3398531
BACE1_HUMAN beta-secretase 1 -7.96 -7.89 -8.87 41.30% CHEMBL1923751
CAH2_HUMAN carbonic anhydrase 2 -8.02 -9.08 -7.39 50.43% CHEMBL3763387
CASP1_HUMAN caspase 1 -6.11 -7.50 -6.69 33.33% CHEMBL269599
CDK5_HUMAN cyclin dependent kinase 5 -7.96 -8.69 -7.04 40.82% CHEMBL1972988
CHLE_HUMAN butyrylcholinesterase -9.50 -9.12 -9.01 42.74% CHEMBL3954861
CNR1_HUMAN cannabinoid receptor 1 -7.92 -10.30 -10.40 54.48% CHEMBL247103
CNR2_HUMAN cannabinoid receptor 2 -9.79 -9.85 N/A 47.13% CHEMBL577986
COLI_HUMAN proopiomelanocortin -9.10 -8.92 -8.54 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.75 -6.36 -6.20 34.69% CHEMBL3798286
CRP_HUMAN C-reactive protein -6.56 -6.52 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.52 N/A N/A 24.61% CHEMBL3342269
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.98 -7.25 -8.24 26.46% CHEMBL3627862
DRD2_HUMAN dopamine receptor D2 -8.80 N/A N/A 38.26% CHEMBL91463
DRD3_HUMAN dopamine receptor D3 -7.85 N/A N/A 36.84% CHEMBL244773
DRD4_HUMAN dopamine receptor D4 -8.89 -9.07 N/A 33.51% CHEMBL91553
EDN1_HUMAN endothelin 1 -7.86 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -9.12 -9.58 -9.43 46.46% CHEMBL371012
FABP5_HUMAN fatty acid binding protein 5 -8.66 -7.10 -6.31 34.59% CHEMBL3971182
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.14 N/A N/A 40.57% CHEMBL1997822
GLRA3_HUMAN glycine receptor alpha 3 -8.87 -9.04 -8.41 20.97% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.20 N/A N/A 20.97% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.90 -8.85 -7.45 46.21% CHEMBL3603921
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.07 -7.59 -7.18 53.91% CHEMBL3917928
HRH1_HUMAN histamine receptor H1 -7.08 N/A N/A 34.43% CHEMBL1784685
HYES_HUMAN epoxide hydrolase 2 -8.37 -10.09 -8.61 34.64% CHEMBL567703
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.27 N/A N/A 42.50% CHEMBL4061406
MDR1_HUMAN ATP binding cassette subfamily B member 1 -9.00 -8.50 N/A 34.92% CHEMBL1642
MIF_HUMAN macrophage migration inhibitory factor -6.51 -7.37 -6.83 30.37% CHEMBL3906441
MK01_HUMAN mitogen-activated protein kinase 1 -8.04 -8.01 -7.63 43.79% CHEMBL3944658
MK03_HUMAN mitogen-activated protein kinase 3 -8.30 -9.06 -8.33 36.99% CHEMBL1089119
MTOR_HUMAN mechanistic target of rapamycin kinase -9.20 -9.69 -9.37 47.88% CHEMBL3640942
NEP_HUMAN membrane metalloendopeptidase -8.25 -6.96 -8.25 25.26% CHEMBL4085997
NK1R_HUMAN tachykinin receptor 1 -8.49 -9.21 -8.42 46.56% CHEMBL21122
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.54 -9.92 -8.83 21.97% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.26 -9.01 -9.98 32.61% CHEMBL570613
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.22 -10.01 -8.83 30.37% CHEMBL164322
NOS1_HUMAN nitric oxide synthase 1 -8.00 -7.40 -7.60 37.50% CHEMBL4084332
NOS2_HUMAN nitric oxide synthase 2 -7.50 -8.50 -8.57 34.29% CHEMBL1800534
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.77 -9.90 -9.99 42.22% CHEMBL2152276
OPRD_HUMAN opioid receptor delta 1 -8.26 -7.60 -8.08 33.16% CHEMBL2347239
OPRK_HUMAN opioid receptor kappa 1 -9.69 -8.94 -8.47 38.07% CHEMBL1818237
OPRM_MOUSE Mu-type opioid receptor -9.05 -7.71 N/A 25.36% CHEMBL2147903
OPRX_HUMAN opioid related nociceptin receptor 1 -7.79 -8.12 -7.33 34.43% CHEMBL1784685
P2RX3_HUMAN purinergic receptor P2X 3 -6.06 -6.10 -6.31 30.41% CHEMBL3643305
P2Y12_HUMAN purinergic receptor P2Y12 -9.98 -7.71 -8.05 31.00% CHEMBL3322630
PAR1_HUMAN coagulation factor II thrombin receptor -10.14 N/A N/A 40.59% CHEMBL231942
PDE4B_HUMAN phosphodiesterase 4B -9.54 -9.64 -9.65 55.88% CHEMBL1957298
PDE5A_HUMAN phosphodiesterase 5A -9.47 -10.07 -9.56 38.38% CHEMBL3742354
PERM_HUMAN myeloperoxidase -8.48 -8.66 -8.34 23.08% CHEMBL2347182
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.06 -6.79 -8.70 41.36% CHEMBL389379
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.46 -8.41 -11.14 100.00% CHEMBL416146
PPAP_HUMAN acid phosphatase 3 -8.08 N/A N/A 11.04% CHEMBL453954
PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.05 -9.14 -8.27 41.67% CHEMBL3695769
PRGR_HUMAN progesterone receptor -3.45 -0.80 -8.28 37.50% CHEMBL3605932
PTGES_HUMAN prostaglandin E synthase -7.61 N/A N/A 51.09% CHEMBL585295
SC6A4_HUMAN solute carrier family 6 member 4 -9.32 -9.16 -8.96 36.67% CHEMBL2419440
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.51 N/A N/A 46.11% CHEMBL3682760
TLR4_HUMAN toll like receptor 4 -7.97 -8.33 -7.72 24.57% CHEMBL3823499
TNFA_HUMAN tumor necrosis factor -7.68 N/A N/A 31.91% CHEMBL3640372
TRBM_HUMAN thrombomodulin -8.45 -7.31 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.96 -7.06 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.56 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.22 N/A N/A 40.26% CHEMBL276153
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.46 -6.89 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.19 -8.16 N/A 47.27% CHEMBL3692319
TRXR1_HUMAN thioredoxin reductase 1 -7.95 -7.52 -7.05 N/A N/A
TRY1_HUMAN serine protease 1 -7.28 N/A N/A 38.36% CHEMBL92883