drug001 #202 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 -8.05 -8.39 -8.62 44.44% CHEMBL140415
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.82 -8.75 N/A 55.29% CHEMBL41
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.97 -7.80 -8.03 54.64% CHEMBL509446
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.64 -9.06 N/A 62.50% CHEMBL2022192
AA1R_HUMAN adenosine A1 receptor -8.14 -7.70 -8.05 34.91% CHEMBL1544
AA2AR_HUMAN adenosine A2a receptor -8.50 -8.57 -8.35 31.78% CHEMBL1795502
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.10 -7.70 -9.47 42.73% CHEMBL87344
ACE_HUMAN angiotensin I converting enzyme -7.63 -7.36 -6.69 41.13% CHEMBL254493
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.65 N/A N/A 14.66% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -7.15 -8.48 -8.18 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.25 -9.32 N/A 55.29% CHEMBL41
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.03 -8.07 N/A 42.86% CHEMBL1346
ADRB2_HUMAN adrenoceptor beta 2 -7.84 -9.13 -8.71 47.83% CHEMBL1940816
AGTR2_HUMAN angiotensin II receptor type 2 -8.17 -8.19 -7.98 33.12% CHEMBL34124
ALDR_HUMAN aldo-keto reductase family 1 member B -9.41 -9.11 -8.79 45.37% CHEMBL312109
AMPN_HUMAN alanyl aminopeptidase, membrane -7.06 -8.06 -7.76 28.16% CHEMBL3806197
AOFA_HUMAN monoamine oxidase A -8.52 -8.47 -9.17 47.96% CHEMBL2391873
AOFB_HUMAN monoamine oxidase B -8.93 -8.92 -8.96 56.67% CHEMBL1348198
BACE1_HUMAN beta-secretase 1 -6.34 -6.97 -7.51 57.41% CHEMBL3745938
CAH2_HUMAN carbonic anhydrase 2 -7.22 -7.20 -7.12 47.06% CHEMBL3402967
CASP1_HUMAN caspase 1 -6.48 -7.51 -5.96 31.78% CHEMBL115252
CDK5_HUMAN cyclin dependent kinase 5 -7.60 -7.97 -8.86 32.17% CHEMBL2007296
CHLE_HUMAN butyrylcholinesterase -8.26 -8.04 -8.47 37.80% CHEMBL369554
CNR1_HUMAN cannabinoid receptor 1 -8.16 -8.45 -9.16 51.95% CHEMBL244607
CNR2_HUMAN cannabinoid receptor 2 -8.99 -9.28 N/A 47.19% CHEMBL3963126
COLI_HUMAN proopiomelanocortin -7.90 -7.48 -7.12 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.63 -6.51 -6.43 23.13% CHEMBL3425731
CRP_HUMAN C-reactive protein -6.25 -6.26 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.35 N/A N/A 22.98% CHEMBL376621
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.78 -6.44 -7.48 29.27% CHEMBL4100900
DRD2_HUMAN dopamine receptor D2 -7.76 N/A N/A 47.56% CHEMBL334989
DRD3_HUMAN dopamine receptor D3 -7.74 N/A N/A 47.56% CHEMBL334989
DRD4_HUMAN dopamine receptor D4 -7.89 -8.07 N/A 47.56% CHEMBL334989
EDN1_HUMAN endothelin 1 -7.35 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.24 -8.21 -8.17 62.65% CHEMBL234460
FABP5_HUMAN fatty acid binding protein 5 -7.56 -5.49 -5.22 49.49% CHEMBL212860
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.26 N/A N/A 37.37% CHEMBL221753
GLRA3_HUMAN glycine receptor alpha 3 -8.47 -8.25 -8.21 13.00% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.99 N/A N/A 13.00% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -9.40 -9.87 -9.54 56.67% CHEMBL1348198
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.99 -7.31 -7.62 21.32% CHEMBL3979391
HRH1_HUMAN histamine receptor H1 -10.76 N/A N/A 51.35% CHEMBL258930
HYES_HUMAN epoxide hydrolase 2 -7.64 -8.13 -7.79 42.00% CHEMBL470363
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.55 N/A N/A 36.73% CHEMBL3318321
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.59 -8.27 N/A 66.25% CHEMBL272836
MIF_HUMAN macrophage migration inhibitory factor -8.09 -7.62 -7.97 27.38% CHEMBL81201
MK01_HUMAN mitogen-activated protein kinase 1 -7.32 -6.90 -7.31 38.30% CHEMBL1909070
MK03_HUMAN mitogen-activated protein kinase 3 -7.31 -8.98 -6.90 23.81% CHEMBL2263390
MTOR_HUMAN mechanistic target of rapamycin kinase -8.58 -8.55 -8.44 26.86% CHEMBL1091455
NEP_HUMAN membrane metalloendopeptidase -8.59 -8.79 -8.75 41.13% CHEMBL254493
NK1R_HUMAN tachykinin receptor 1 -7.56 -8.26 -7.71 48.28% CHEMBL93909
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.53 -8.25 -7.87 22.94% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.23 -9.44 -9.23 41.24% CHEMBL48029
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.76 -8.44 -7.87 23.85% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -8.61 -8.72 -7.94 37.19% CHEMBL4081945
NOS2_HUMAN nitric oxide synthase 2 -7.20 -8.32 -8.29 50.51% CHEMBL1762472
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.73 -8.87 -8.85 33.90% CHEMBL261849
OPRD_HUMAN opioid receptor delta 1 -8.20 -6.60 -6.66 47.57% CHEMBL431156
OPRK_HUMAN opioid receptor kappa 1 -8.63 -8.96 -8.94 46.90% CHEMBL568309
OPRM_MOUSE Mu-type opioid receptor -8.72 -7.43 N/A 46.23% CHEMBL430441
OPRX_HUMAN opioid related nociceptin receptor 1 -7.28 -7.37 -7.32 42.42% CHEMBL233493
P2RX3_HUMAN purinergic receptor P2X 3 -5.57 -5.21 -5.27 28.32% CHEMBL3958199
P2Y12_HUMAN purinergic receptor P2Y12 -8.14 -7.71 -7.87 31.53% CHEMBL91478
PAR1_HUMAN coagulation factor II thrombin receptor -8.35 N/A N/A 27.46% CHEMBL3086083
PDE4B_HUMAN phosphodiesterase 4B -8.31 -7.95 -7.91 41.28% CHEMBL1223618
PDE5A_HUMAN phosphodiesterase 5A -8.10 -8.55 -8.13 40.35% CHEMBL362755
PERM_HUMAN myeloperoxidase -7.69 -7.86 -7.67 36.47% CHEMBL3892909
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.87 -8.60 -8.17 53.41% CHEMBL1958348
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.36 -7.00 -8.10 58.44% CHEMBL1958349
PPAP_HUMAN acid phosphatase 3 -7.08 N/A N/A 26.79% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.53 -7.97 -7.80 59.30% CHEMBL592625
PRGR_HUMAN progesterone receptor -8.12 -8.40 -8.13 41.38% CHEMBL511812
PTGES_HUMAN prostaglandin E synthase -6.67 N/A N/A 68.13% CHEMBL3754065
SC6A4_HUMAN solute carrier family 6 member 4 -8.18 -8.09 -8.71 64.10% CHEMBL641
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.70 N/A N/A 44.09% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -7.75 -7.65 -7.80 30.00% CHEMBL3261034
TNFA_HUMAN tumor necrosis factor -7.26 N/A N/A 26.92% CHEMBL72511
TRBM_HUMAN thrombomodulin -7.51 -7.19 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.81 -6.45 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.37 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.12 N/A N/A 34.23% CHEMBL2057858
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.21 -7.86 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.21 -7.56 N/A 29.23% CHEMBL3692228
TRXR1_HUMAN thioredoxin reductase 1 -7.23 -7.46 -5.99 N/A N/A
TRY1_HUMAN serine protease 1 -6.19 N/A N/A 50.56% CHEMBL320817