test #489 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 -9.13 -8.99 -8.35 30.00% CHEMBL321562
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.48 -9.35 N/A 35.21% CHEMBL3220217
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.38 -10.22 -9.52 35.79% CHEMBL1836317
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.87 -9.76 N/A 39.02% CHEMBL4071321
AA1R_HUMAN adenosine A1 receptor -8.53 -8.43 -7.35 51.25% CHEMBL2391834
AA2AR_HUMAN adenosine A2a receptor -8.75 -8.57 -9.12 51.25% CHEMBL2391834
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -11.15 -9.91 -8.07 57.64% CHEMBL4527101
ACE_HUMAN angiotensin I converting enzyme -8.69 -9.07 -8.11 23.33% CHEMBL1242210
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.11 N/A N/A 17.71% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.01 -6.84 -3.08 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.39 8.16 N/A 32.88% CHEMBL2206598
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.66 -7.35 N/A 32.98% CHEMBL4067974
ADRB2_HUMAN adrenoceptor beta 2 -8.74 -9.35 -10.35 49.40% CHEMBL1424697
AGTR2_HUMAN angiotensin II receptor type 2 -9.04 -8.81 -8.87 28.19% CHEMBL166143
ALDR_HUMAN aldo-keto reductase family 1 member B -8.63 -9.55 -8.80 27.70% CHEMBL240720
AMPN_HUMAN alanyl aminopeptidase, membrane -9.04 -10.19 -9.06 24.73% CHEMBL1077589
AOFA_HUMAN monoamine oxidase A -9.81 -9.68 -10.39 34.87% CHEMBL1213914
AOFB_HUMAN monoamine oxidase B -9.95 -10.82 -10.00 35.54% CHEMBL3219203
BACE1_HUMAN beta-secretase 1 -7.38 -7.99 -8.76 38.52% CHEMBL2181893
CAH2_HUMAN carbonic anhydrase 2 -7.94 -7.95 -7.55 38.13% CHEMBL4089153
CASP1_HUMAN caspase 1 -6.62 -7.88 -6.82 29.05% CHEMBL180273
CDK5_HUMAN cyclin dependent kinase 5 -8.76 -7.97 -6.80 49.25% CHEMBL1983980
CHLE_HUMAN butyrylcholinesterase -8.29 -8.48 -8.55 33.85% CHEMBL4277303
CNR1_HUMAN cannabinoid receptor 1 -7.50 -8.93 -9.63 42.86% CHEMBL4591294
CNR2_HUMAN cannabinoid receptor 2 -10.17 -9.43 N/A 44.02% CHEMBL1762299
COLI_HUMAN proopiomelanocortin -8.49 -8.57 -8.44 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -7.22 -6.92 -7.08 36.22% CHEMBL4435468
CRP_HUMAN C-reactive protein -6.16 -6.78 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.72 N/A N/A 29.49% CHEMBL3609011
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.76 -7.93 -8.18 34.48% CHEMBL1802329
DRD2_HUMAN dopamine receptor D2 -8.37 N/A N/A 36.40% CHEMBL249854
DRD3_HUMAN dopamine receptor D3 -9.03 N/A N/A 31.44% CHEMBL90433
DRD4_HUMAN dopamine receptor D4 -9.38 -9.60 N/A 41.38% CHEMBL38349
EDN1_HUMAN endothelin 1 -8.17 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.43 -7.26 -8.79 38.31% CHEMBL4204236
FABP5_HUMAN fatty acid binding protein 5 -7.97 -7.24 -5.74 25.59% CHEMBL3950316
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.40 N/A N/A 49.25% CHEMBL1983980
GLRA3_HUMAN glycine receptor alpha 3 -8.71 -8.26 -8.37 20.39% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.57 N/A N/A 20.39% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -5.98 -5.62 -6.10 48.68% CHEMBL4205817
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.64 -7.61 -7.47 46.38% CHEMBL4454083
HRH1_HUMAN histamine receptor H1 -9.37 N/A N/A 34.47% CHEMBL1712377
HYES_HUMAN epoxide hydrolase 2 -8.85 -9.29 -8.86 34.47% CHEMBL3099680
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.32 N/A N/A 36.03% CHEMBL1986263
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.96 -8.43 N/A 32.97% CHEMBL2335006
MIF_HUMAN macrophage migration inhibitory factor -5.54 -7.28 -6.43 26.42% CHEMBL1253380
MK01_HUMAN mitogen-activated protein kinase 1 -8.61 -8.03 -7.99 40.85% CHEMBL1682546
MK03_HUMAN mitogen-activated protein kinase 3 -9.01 -8.55 -7.37 38.02% CHEMBL4216900
MTOR_HUMAN mechanistic target of rapamycin kinase -9.47 -9.60 -9.17 39.69% CHEMBL1773603
NEP_HUMAN membrane metalloendopeptidase -7.79 -8.19 -8.05 41.46% CHEMBL34541
NK1R_HUMAN tachykinin receptor 1 -9.01 -8.45 -9.13 35.91% CHEMBL107469
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.08 -8.36 -8.08 25.27% CHEMBL4555447
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.07 -9.35 -9.26 34.43% CHEMBL218547
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.18 -8.33 -8.08 24.37% CHEMBL162577
NOS1_HUMAN nitric oxide synthase 1 -9.57 -9.90 -9.41 32.82% CHEMBL397710
NOS2_HUMAN nitric oxide synthase 2 -9.04 -9.21 -3.47 31.06% CHEMBL490919
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.69 -9.09 -8.49 50.94% CHEMBL3896203
OPRD_HUMAN opioid receptor delta 1 -8.10 -7.03 -7.67 39.05% CHEMBL3086306
OPRK_HUMAN opioid receptor kappa 1 -9.68 -9.54 -9.27 39.05% CHEMBL3086306
OPRM_MOUSE Mu-type opioid receptor -8.77 -8.74 N/A 25.26% CHEMBL61630
OPRX_HUMAN opioid related nociceptin receptor 1 -8.38 -7.68 -8.30 32.65% CHEMBL4128926
P2RX3_HUMAN purinergic receptor P2X 3 -6.56 -6.20 -6.54 41.28% CHEMBL3684545
P2Y12_HUMAN purinergic receptor P2Y12 -8.90 -6.29 -7.99 31.13% CHEMBL50806
PAR1_HUMAN coagulation factor II thrombin receptor -8.01 N/A N/A 31.98% CHEMBL3658404
PDE4B_HUMAN phosphodiesterase 4B -8.94 -9.71 -9.13 38.22% CHEMBL4218878
PDE5A_HUMAN phosphodiesterase 5A -9.15 -9.36 -9.14 47.56% CHEMBL365694
PERM_HUMAN myeloperoxidase -7.53 -7.99 -8.17 29.49% CHEMBL4294867
PGH1_SHEEP Prostaglandin G/H synthase 1 -8.62 -8.07 -8.89 53.27% CHEMBL3909479
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.84 -7.10 -7.61 52.34% CHEMBL16996
PPAP_HUMAN acid phosphatase 3 -8.04 -8.10 N/A 14.41% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.34 -8.82 -8.84 40.00% CHEMBL223351
PRGR_HUMAN progesterone receptor -6.01 -5.30 -7.33 37.39% CHEMBL1800984
PTGES_HUMAN prostaglandin E synthase -6.89 N/A N/A 41.61% CHEMBL3094428
SC6A4_HUMAN solute carrier family 6 member 4 -9.35 -9.11 -9.46 32.83% CHEMBL226984
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.47 N/A N/A 37.82% CHEMBL2012250
TLR4_HUMAN toll like receptor 4 -7.72 -8.00 -8.64 27.31% CHEMBL4213787
TNFA_HUMAN tumor necrosis factor -8.14 -6.71 -6.24 33.89% CHEMBL3642457
TRBM_HUMAN thrombomodulin -8.03 -7.41 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 ? ? N/A ? ?
TRPM8_FICAL Uncharacterized protein -9.67 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.80 N/A N/A 43.35% CHEMBL398293
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.88 -8.52 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.45 -7.86 N/A 32.00% CHEMBL3696446
TRXR1_HUMAN thioredoxin reductase 1 -8.06 -7.96 -6.75 21.86% CHEMBL4281382
TRY1_HUMAN serine protease 1 -6.63 N/A N/A 30.59% CHEMBL3642972