WIN #582 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 -11.49 -11.49 -10.77 48.65% CHEMBL357830
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -11.50 -11.16 N/A 61.03% CHEMBL76494
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -11.56 -11.76 -11.85 44.62% CHEMBL357995
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -11.94 -11.27 N/A 61.03% CHEMBL76494
AA1R_HUMAN adenosine A1 receptor -10.50 -11.75 -8.58 41.31% CHEMBL223002
AA2AR_HUMAN adenosine A2a receptor -9.78 -9.83 -11.02 40.39% CHEMBL377434
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -12.21 -11.98 -9.99 46.43% CHEMBL2159656
ACE_HUMAN angiotensin I converting enzyme -10.32 -9.98 -8.76 40.53% CHEMBL305388
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -9.59 N/A N/A 34.71% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -4.82 -5.75 -4.15 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.00 2.04 N/A 46.04% CHEMBL3126667
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.19 -6.51 N/A 43.63% CHEMBL4080878
ADRB2_HUMAN adrenoceptor beta 2 -8.85 -11.13 -11.45 45.79% CHEMBL1082828
AGTR2_HUMAN angiotensin II receptor type 2 -10.65 -10.68 -10.36 36.48% CHEMBL2435821
ALDR_HUMAN aldo-keto reductase family 1 member B -10.85 -11.19 -10.85 45.61% CHEMBL4206601
AMPN_HUMAN alanyl aminopeptidase, membrane -10.23 -10.79 -11.02 41.42% CHEMBL1077583
AOFA_HUMAN monoamine oxidase A -11.49 -11.02 -12.72 39.56% CHEMBL1645557
AOFB_HUMAN monoamine oxidase B -12.95 -12.98 -13.32 40.00% CHEMBL4637881
BACE1_HUMAN beta-secretase 1 -8.75 -10.00 -10.42 42.37% CHEMBL2407488
CAH2_HUMAN carbonic anhydrase 2 -8.51 -8.32 -8.68 48.89% CHEMBL4203646
CASP1_HUMAN caspase 1 -7.70 -8.70 -7.53 44.28% CHEMBL1221644
CDK5_HUMAN cyclin dependent kinase 5 -9.12 -10.39 -8.16 40.61% CHEMBL1996155
CHLE_HUMAN butyrylcholinesterase -11.48 -10.90 -11.71 46.32% CHEMBL2159657
CNR1_HUMAN cannabinoid receptor 1 -9.62 -10.52 -11.31 100.00% CHEMBL188
CNR2_HUMAN cannabinoid receptor 2 -12.23 -12.29 N/A 100.00% CHEMBL188
COLI_HUMAN proopiomelanocortin -10.25 -10.48 -8.90 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -8.87 -7.99 -8.37 39.02% CHEMBL4538981
CRP_HUMAN C-reactive protein -7.50 -7.04 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.15 N/A N/A 28.02% CHEMBL556656
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -11.83 -8.38 -9.98 40.27% CHEMBL3897384
DRD2_HUMAN dopamine receptor D2 -10.01 N/A N/A 47.12% CHEMBL3409247
DRD3_HUMAN dopamine receptor D3 -9.87 N/A N/A 55.88% CHEMBL461571
DRD4_HUMAN dopamine receptor D4 -10.43 -11.13 N/A 43.10% CHEMBL3577344
EDN1_HUMAN endothelin 1 -10.71 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.68 -6.89 -9.13 51.87% CHEMBL238959
FABP5_HUMAN fatty acid binding protein 5 -10.54 -7.36 -6.95 31.00% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.98 N/A N/A 41.18% CHEMBL4525187
GLRA3_HUMAN glycine receptor alpha 3 -11.21 -11.15 -11.28 25.52% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -11.23 N/A N/A 25.52% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.17 -7.14 -4.88 39.92% CHEMBL3672913
HPGDS_HUMAN hematopoietic prostaglandin D synthase -9.93 -7.99 -8.90 43.23% CHEMBL4552112
HRH1_HUMAN histamine receptor H1 -5.92 N/A N/A 44.02% CHEMBL2207668
HYES_HUMAN epoxide hydrolase 2 -10.53 -10.49 -10.74 40.82% CHEMBL431348
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -10.27 N/A N/A 37.83% CHEMBL4473469
MDR1_HUMAN ATP binding cassette subfamily B member 1 -10.56 -11.33 N/A 50.22% CHEMBL240163
MIF_HUMAN macrophage migration inhibitory factor -6.72 -9.00 -7.89 35.00% CHEMBL4208992
MK01_HUMAN mitogen-activated protein kinase 1 -9.58 -10.02 -9.41 40.19% CHEMBL1970903
MK03_HUMAN mitogen-activated protein kinase 3 -9.53 -10.16 -9.61 36.10% CHEMBL3797548
MTOR_HUMAN mechanistic target of rapamycin kinase -11.62 -11.48 -11.30 48.57% CHEMBL1089823
NEP_HUMAN membrane metalloendopeptidase -9.35 -9.27 -8.31 40.53% CHEMBL305388
NK1R_HUMAN tachykinin receptor 1 -11.97 -10.07 -9.82 49.27% CHEMBL42597
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -10.30 -9.74 -9.22 21.11% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -11.05 -10.91 -10.11 37.04% CHEMBL444384
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -10.02 -9.87 -9.22 34.02% CHEMBL354003
NOS1_HUMAN nitric oxide synthase 1 -10.70 -10.93 -9.59 35.20% CHEMBL43240
NOS2_HUMAN nitric oxide synthase 2 -8.96 -9.60 -7.42 33.58% CHEMBL376713
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -11.47 -11.60 -11.61 49.34% CHEMBL3661539
OPRD_HUMAN opioid receptor delta 1 -9.06 -8.26 -8.90 42.41% CHEMBL261608
OPRK_HUMAN opioid receptor kappa 1 -11.67 -10.60 -11.17 43.66% CHEMBL15498
OPRM_MOUSE Mu-type opioid receptor -11.02 -10.17 N/A 38.30% CHEMBL2147919
OPRX_HUMAN opioid related nociceptin receptor 1 -9.23 -9.11 -10.02 38.27% CHEMBL266314
P2RX3_HUMAN purinergic receptor P2X 3 -6.83 -6.47 -7.37 41.92% CHEMBL3978296
P2Y12_HUMAN purinergic receptor P2Y12 -10.49 -6.32 -7.95 39.84% CHEMBL3325895
PAR1_HUMAN coagulation factor II thrombin receptor -8.81 N/A N/A 38.39% CHEMBL3086221
PDE4B_HUMAN phosphodiesterase 4B -10.36 -11.00 -11.54 39.35% CHEMBL290191
PDE5A_HUMAN phosphodiesterase 5A -10.32 -11.18 -11.12 43.75% CHEMBL462983
PERM_HUMAN myeloperoxidase -10.87 -10.95 -11.01 35.84% CHEMBL4637728
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.21 -7.03 -9.62 49.28% CHEMBL281847
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -1.78 -3.03 -7.76 51.63% CHEMBL96954
PPAP_HUMAN acid phosphatase 3 -10.29 -9.14 N/A 21.46% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -10.24 -10.03 -10.77 59.60% CHEMBL489651
PRGR_HUMAN progesterone receptor -9.02 -7.80 -10.91 46.92% CHEMBL1083359
PTGES_HUMAN prostaglandin E synthase -8.47 N/A N/A 44.34% CHEMBL453202
SC6A4_HUMAN solute carrier family 6 member 4 -11.51 -11.80 -11.31 55.88% CHEMBL461571
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -9.30 N/A N/A 44.98% CHEMBL3913522
TLR4_HUMAN toll like receptor 4 -10.38 -10.48 -9.78 40.09% CHEMBL4559986
TNFA_HUMAN tumor necrosis factor -9.07 -8.94 -7.08 47.74% CHEMBL1325856
TRBM_HUMAN thrombomodulin -9.87 -8.21 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -9.48 -8.26 N/A 27.75% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -12.12 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -9.58 N/A N/A 46.79% CHEMBL438345
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -9.00 -8.85 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -9.41 -8.36 N/A 34.72% CHEMBL3696422
TRXR1_HUMAN thioredoxin reductase 1 -10.08 -9.49 -8.25 26.58% CHEMBL4459518
TRY1_HUMAN serine protease 1 -7.33 N/A N/A 43.41% CHEMBL176568