AA13 #501 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 -6.30 -6.19 -5.86 37.10% CHEMBL146942
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.10 -6.18 N/A 45.45% CHEMBL484380
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.88 -6.21 -6.57 43.86% CHEMBL26687
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.22 -6.18 N/A 46.38% CHEMBL83
AA1R_HUMAN adenosine A1 receptor -5.74 -6.14 -6.36 28.41% CHEMBL1544
AA2AR_HUMAN adenosine A2a receptor -6.47 -6.50 -6.01 39.68% CHEMBL496
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.22 -5.84 -6.81 59.38% CHEMBL16645
ACE_HUMAN angiotensin I converting enzyme -6.29 -5.41 -5.89 28.26% CHEMBL253224
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.02 N/A N/A 11.83% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.23 -6.09 -6.75 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.22 -6.58 N/A 46.38% CHEMBL83
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.33 -6.34 N/A 46.38% CHEMBL83
ADRB2_HUMAN adrenoceptor beta 2 -6.56 -6.70 -6.69 44.64% CHEMBL679
AGTR2_HUMAN angiotensin II receptor type 2 -6.19 -6.33 -6.12 20.80% CHEMBL268815
ALDR_HUMAN aldo-keto reductase family 1 member B -6.95 -6.80 -6.82 50.79% CHEMBL129795
AMPN_HUMAN alanyl aminopeptidase, membrane -5.54 -6.36 -5.49 34.21% CHEMBL3806197
AOFA_HUMAN monoamine oxidase A -6.20 -6.26 -6.47 52.54% CHEMBL7973
AOFB_HUMAN monoamine oxidase B -6.38 -6.36 -6.28 54.39% CHEMBL276473
BACE1_HUMAN beta-secretase 1 -5.10 -5.16 -5.61 50.79% CHEMBL129795
CAH2_HUMAN carbonic anhydrase 2 -6.07 -6.02 -6.06 64.86% CHEMBL146
CASP1_HUMAN caspase 1 -4.75 -5.66 -4.91 27.66% CHEMBL37630
CDK5_HUMAN cyclin dependent kinase 5 -6.64 -6.33 -7.14 31.08% CHEMBL1988201
CHLE_HUMAN butyrylcholinesterase -6.28 -6.17 -6.12 37.35% CHEMBL2380323
CNR1_HUMAN cannabinoid receptor 1 -6.12 -6.10 -6.48 44.64% CHEMBL243334
CNR2_HUMAN cannabinoid receptor 2 -6.59 -6.11 N/A 48.21% CHEMBL16901
COLI_HUMAN proopiomelanocortin -6.11 -5.94 -5.50 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.14 -5.04 -5.43 29.89% CHEMBL1324
CRP_HUMAN C-reactive protein -4.49 -4.68 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.47 N/A N/A 28.89% CHEMBL4442431
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.44 -5.08 -5.85 39.74% CHEMBL126657
DRD2_HUMAN dopamine receptor D2 -6.36 N/A N/A 58.14% CHEMBL59
DRD3_HUMAN dopamine receptor D3 -6.12 N/A N/A 58.14% CHEMBL59
DRD4_HUMAN dopamine receptor D4 -6.48 -6.50 N/A 58.14% CHEMBL59
EDN1_HUMAN endothelin 1 -6.37 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.97 -5.79 -5.89 84.21% CHEMBL577240
FABP5_HUMAN fatty acid binding protein 5 -5.39 -4.68 -4.28 29.49% CHEMBL4292072
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -5.86 N/A N/A 40.00% CHEMBL1975923
GLRA3_HUMAN glycine receptor alpha 3 -5.84 -5.80 -5.83 11.00% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -6.53 N/A N/A 11.00% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.39 -7.42 -7.52 31.25% CHEMBL1289626
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.58 -6.01 -6.22 21.98% CHEMBL4476387
HRH1_HUMAN histamine receptor H1 -7.20 N/A N/A 35.21% CHEMBL3981091
HYES_HUMAN epoxide hydrolase 2 -5.88 -6.05 -6.08 40.00% CHEMBL32969
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.17 N/A N/A 35.37% CHEMBL3125821
MDR1_HUMAN ATP binding cassette subfamily B member 1 -5.59 -6.89 N/A 68.09% CHEMBL411
MIF_HUMAN macrophage migration inhibitory factor -7.01 -6.67 -6.68 32.76% CHEMBL81201
MK01_HUMAN mitogen-activated protein kinase 1 -5.61 -6.24 -5.40 44.93% CHEMBL319244
MK03_HUMAN mitogen-activated protein kinase 3 -5.83 -5.83 -5.36 41.38% CHEMBL4291759
MTOR_HUMAN mechanistic target of rapamycin kinase -6.22 -6.49 -6.26 29.55% CHEMBL4214825
NEP_HUMAN membrane metalloendopeptidase -6.14 -6.27 -6.18 28.26% CHEMBL253224
NK1R_HUMAN tachykinin receptor 1 -5.82 -6.30 -5.78 32.05% CHEMBL423597
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.76 -6.49 -6.53 20.93% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.17 -7.15 -7.19 37.88% CHEMBL4286654
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.70 -6.41 -6.53 19.09% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -7.20 -7.29 -6.28 32.76% CHEMBL107201
NOS2_HUMAN nitric oxide synthase 2 -6.43 -6.15 -6.69 33.96% CHEMBL448703
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -6.68 -6.57 -6.60 26.87% CHEMBL1991734
OPRD_HUMAN opioid receptor delta 1 -5.72 -4.82 -5.37 68.09% CHEMBL411
OPRK_HUMAN opioid receptor kappa 1 -6.21 -6.00 -6.17 50.94% CHEMBL4102256
OPRM_MOUSE Mu-type opioid receptor -6.58 -5.43 N/A 35.29% CHEMBL151416
OPRX_HUMAN opioid related nociceptin receptor 1 -5.20 -5.52 -5.50 35.21% CHEMBL3919659
P2RX3_HUMAN purinergic receptor P2X 3 -4.22 -4.28 -4.59 26.37% CHEMBL3958199
P2Y12_HUMAN purinergic receptor P2Y12 -6.49 -6.55 -6.26 26.87% CHEMBL25
PAR1_HUMAN coagulation factor II thrombin receptor -6.98 N/A N/A 25.00% CHEMBL387441
PDE4B_HUMAN phosphodiesterase 4B -5.97 -6.57 -6.76 28.57% CHEMBL511115
PDE5A_HUMAN phosphodiesterase 5A -6.08 -5.85 -6.01 24.27% CHEMBL363889
PERM_HUMAN myeloperoxidase -6.42 -6.66 -6.49 44.64% CHEMBL3925807
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.99 -6.02 -6.32 59.09% CHEMBL165
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.08 -6.06 -6.21 65.31% CHEMBL491079
PPAP_HUMAN acid phosphatase 3 -5.71 -5.54 N/A 27.27% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -5.59 -6.20 -5.55 45.71% CHEMBL2204694
PRGR_HUMAN progesterone receptor -6.31 -6.44 -6.13 36.76% CHEMBL511812
PTGES_HUMAN prostaglandin E synthase -5.03 N/A N/A 37.50% CHEMBL140
SC6A4_HUMAN solute carrier family 6 member 4 -5.96 -6.04 -6.22 43.24% CHEMBL954
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.43 N/A N/A 30.00% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -5.52 -6.33 -5.96 22.22% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -5.59 -5.54 -4.47 29.90% CHEMBL4130207
TRBM_HUMAN thrombomodulin -5.45 -5.10 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -4.87 -5.29 N/A 17.12% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -6.37 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.69 N/A N/A 32.89% CHEMBL1928214
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.36 -5.91 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.52 -5.37 N/A 20.33% CHEMBL3692333
TRXR1_HUMAN thioredoxin reductase 1 -5.35 -5.63 -4.78 18.03% CHEMBL4459518
TRY1_HUMAN serine protease 1 -4.83 N/A N/A 29.07% CHEMBL149135