test #262 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 -5.93 -6.16 -6.49 43.48% CHEMBL2112766
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.45 -6.45 N/A 43.42% CHEMBL272942
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.36 -6.53 -6.65 44.62% CHEMBL558
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.40 -6.78 N/A 43.42% CHEMBL272942
AA1R_HUMAN adenosine A1 receptor -5.58 -5.62 -6.41 32.77% CHEMBL2151131
AA2AR_HUMAN adenosine A2a receptor -5.99 -5.92 -6.00 32.79% CHEMBL197359
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.60 -6.51 -7.23 52.78% CHEMBL139330
ACE_HUMAN angiotensin I converting enzyme -5.96 -6.16 -5.95 29.69% CHEMBL254493
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.08 N/A N/A 13.51% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.20 -6.43 -6.82 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.75 -6.89 N/A 40.26% CHEMBL4102555
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.68 -6.42 N/A 37.18% CHEMBL55
ADRB2_HUMAN adrenoceptor beta 2 -6.71 -6.84 -6.72 46.59% CHEMBL1704973
AGTR2_HUMAN angiotensin II receptor type 2 -5.94 -6.11 -6.00 26.25% CHEMBL158557
ALDR_HUMAN aldo-keto reductase family 1 member B -7.22 -7.08 -7.23 43.52% CHEMBL110030
AMPN_HUMAN alanyl aminopeptidase, membrane -5.66 -6.67 -6.27 25.00% CHEMBL3805817
AOFA_HUMAN monoamine oxidase A -6.45 -6.62 -6.98 45.88% CHEMBL2391739
AOFB_HUMAN monoamine oxidase B -6.78 -6.62 -6.63 53.73% CHEMBL3278090
BACE1_HUMAN beta-secretase 1 -5.11 -5.52 -5.98 35.64% CHEMBL3586198
CAH2_HUMAN carbonic anhydrase 2 -6.29 -6.27 -6.25 59.32% CHEMBL2333586
CASP1_HUMAN caspase 1 -4.81 -5.70 -4.75 39.20% CHEMBL101145
CDK5_HUMAN cyclin dependent kinase 5 -6.17 -6.63 -6.92 36.19% CHEMBL2007296
CHLE_HUMAN butyrylcholinesterase -6.69 -6.27 -6.40 36.79% CHEMBL544592
CNR1_HUMAN cannabinoid receptor 1 -5.65 -6.37 -6.45 47.83% CHEMBL243334
CNR2_HUMAN cannabinoid receptor 2 -6.25 -6.47 N/A 47.83% CHEMBL243334
COLI_HUMAN proopiomelanocortin -6.37 -6.26 -5.32 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.38 -5.25 -5.76 25.62% CHEMBL3980370
CRP_HUMAN C-reactive protein -4.90 -5.22 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.85 N/A N/A 23.78% CHEMBL464302
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.56 -5.81 -5.82 30.00% CHEMBL126657
DRD2_HUMAN dopamine receptor D2 -5.97 N/A N/A 40.26% CHEMBL128313
DRD3_HUMAN dopamine receptor D3 -6.08 N/A N/A 39.24% CHEMBL334545
DRD4_HUMAN dopamine receptor D4 -7.02 -6.67 N/A 42.86% CHEMBL59326
EDN1_HUMAN endothelin 1 -6.27 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -6.08 -5.90 -5.70 63.08% CHEMBL1082743
FABP5_HUMAN fatty acid binding protein 5 -6.12 -4.52 -4.52 53.49% CHEMBL247298
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -6.04 N/A N/A 32.00% CHEMBL2004025
GLRA3_HUMAN glycine receptor alpha 3 -6.77 -6.95 -6.81 10.96% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -6.59 N/A N/A 10.96% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.61 -7.52 -7.37 51.65% CHEMBL1682821
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.04 -6.12 -7.11 33.33% CHEMBL2035654
HRH1_HUMAN histamine receptor H1 -7.17 N/A N/A 38.46% CHEMBL2158833
HYES_HUMAN epoxide hydrolase 2 -6.41 -6.70 -6.36 47.92% CHEMBL244407
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.20 N/A N/A 32.98% CHEMBL3318321
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.01 -5.60 N/A 42.00% CHEMBL9352
MIF_HUMAN macrophage migration inhibitory factor -5.01 -6.21 -5.15 32.94% CHEMBL224086
MK01_HUMAN mitogen-activated protein kinase 1 -5.92 -5.73 -6.23 33.33% CHEMBL2004872
MK03_HUMAN mitogen-activated protein kinase 3 -6.05 -6.28 -6.48 31.45% CHEMBL3797548
MTOR_HUMAN mechanistic target of rapamycin kinase -6.33 -6.36 -6.18 28.80% CHEMBL1241300
NEP_HUMAN membrane metalloendopeptidase -6.69 -6.58 -6.88 29.69% CHEMBL254493
NK1R_HUMAN tachykinin receptor 1 -6.09 -6.16 -6.29 30.43% CHEMBL93909
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.35 -6.92 -7.27 16.67% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -6.83 -6.61 -7.18 32.14% CHEMBL161421
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.32 -6.93 -7.27 22.47% CHEMBL162577
NOS1_HUMAN nitric oxide synthase 1 -6.64 -6.86 -6.31 33.03% CHEMBL4060083
NOS2_HUMAN nitric oxide synthase 2 -5.95 -5.83 -6.25 35.92% CHEMBL1762473
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -6.38 -6.45 -6.31 32.00% CHEMBL2004025
OPRD_HUMAN opioid receptor delta 1 -5.82 -4.82 -5.15 34.75% CHEMBL149074
OPRK_HUMAN opioid receptor kappa 1 -5.96 -6.23 -6.36 37.36% CHEMBL942
OPRM_MOUSE Mu-type opioid receptor -6.50 -5.50 N/A 28.97% CHEMBL13470
OPRX_HUMAN opioid related nociceptin receptor 1 -5.82 -5.74 -5.84 35.00% CHEMBL201805
P2RX3_HUMAN purinergic receptor P2X 3 -5.33 -4.52 -4.69 28.57% CHEMBL3919713
P2Y12_HUMAN purinergic receptor P2Y12 -6.87 -6.37 -6.94 33.64% CHEMBL327374
PAR1_HUMAN coagulation factor II thrombin receptor -7.46 N/A N/A 30.00% CHEMBL2048425
PDE4B_HUMAN phosphodiesterase 4B -6.36 -7.14 -7.15 32.69% CHEMBL2172710
PDE5A_HUMAN phosphodiesterase 5A -6.61 -6.38 -6.44 40.57% CHEMBL363889
PERM_HUMAN myeloperoxidase -6.04 -7.00 -5.98 38.24% CHEMBL309339
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.16 -6.65 -6.06 100.00% CHEMBL25
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.19 -6.20 -6.55 72.60% CHEMBL1958348
PPAP_HUMAN acid phosphatase 3 -6.47 N/A N/A 22.02% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -5.58 -6.46 -5.74 46.99% CHEMBL207570
PRGR_HUMAN progesterone receptor -6.28 -6.24 -6.04 32.46% CHEMBL50849
PTGES_HUMAN prostaglandin E synthase -5.88 N/A N/A 42.72% CHEMBL3134416
SC6A4_HUMAN solute carrier family 6 member 4 -6.16 -6.18 -6.35 41.03% CHEMBL272002
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.07 N/A N/A 34.15% CHEMBL3945925
TLR4_HUMAN toll like receptor 4 -5.66 -6.08 -6.26 29.70% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -5.73 N/A N/A 27.43% CHEMBL1700405
TRBM_HUMAN thrombomodulin -5.81 -5.48 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.91 -5.58 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -6.35 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.79 N/A N/A 33.33% CHEMBL1779679
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -5.66 -6.16 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.23 -5.53 N/A 24.22% CHEMBL3692228
TRXR1_HUMAN thioredoxin reductase 1 -6.51 -6.54 -5.09 N/A N/A
TRY1_HUMAN serine protease 1 -5.51 N/A N/A 62.35% CHEMBL148957