Test2 #125 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 -9.71 -9.92 -10.12 41.50% CHEMBL328048
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.52 -9.73 N/A 44.72% CHEMBL4066433
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.10 -9.30 -9.35 43.02% CHEMBL4100216
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.22 -10.93 N/A 45.24% CHEMBL4084723
AA1R_HUMAN adenosine A1 receptor -9.61 -9.46 -8.44 38.32% CHEMBL1955923
AA2AR_HUMAN adenosine A2a receptor -9.59 -9.79 -10.26 39.47% CHEMBL270654
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.83 -10.93 -9.78 41.85% CHEMBL87014
ACE_HUMAN angiotensin I converting enzyme -8.65 -9.04 -6.36 28.64% CHEMBL3414814
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -8.12 N/A N/A 23.18% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.72 -5.70 -6.56 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.68 -3.98 N/A 46.45% CHEMBL600217
ACM4_HUMAN cholinergic receptor muscarinic 4 -10.42 -8.55 N/A 39.53% CHEMBL244946
ADRB2_HUMAN adrenoceptor beta 2 -9.17 -9.18 -9.57 43.37% CHEMBL101606
AGTR2_HUMAN angiotensin II receptor type 2 -9.08 -9.18 -10.08 37.45% CHEMBL263714
ALDR_HUMAN aldo-keto reductase family 1 member B -9.48 -9.48 -9.26 30.66% CHEMBL274727
AMPN_HUMAN alanyl aminopeptidase, membrane -8.74 -9.17 -8.95 26.50% CHEMBL1077591
AOFA_HUMAN monoamine oxidase A -10.37 -10.33 -10.04 35.98% CHEMBL3652429
AOFB_HUMAN monoamine oxidase B -11.00 -10.04 -10.38 30.46% CHEMBL127774
BACE1_HUMAN beta-secretase 1 -8.13 -8.52 -9.57 37.04% CHEMBL1233882
CAH2_HUMAN carbonic anhydrase 2 -8.40 -9.01 -9.23 100.00% CHEMBL118
CASP1_HUMAN caspase 1 -6.89 -8.40 -6.88 31.31% CHEMBL269599
CDK5_HUMAN cyclin dependent kinase 5 -8.49 -9.50 -8.72 40.00% CHEMBL1974574
CHLE_HUMAN butyrylcholinesterase -9.24 -9.66 -9.60 35.29% CHEMBL543711
CNR1_HUMAN cannabinoid receptor 1 -10.25 -10.76 -11.48 50.75% CHEMBL1765672
CNR2_HUMAN cannabinoid receptor 2 -11.22 -10.54 N/A 52.22% CHEMBL2347041
COLI_HUMAN proopiomelanocortin -9.34 -9.28 -8.78 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -7.20 -6.45 -5.85 31.98% CHEMBL3425732
CRP_HUMAN C-reactive protein -7.04 -6.86 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -0.80 N/A N/A 28.65% CHEMBL3609011
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.31 -7.88 -8.59 35.27% CHEMBL4100900
DRD2_HUMAN dopamine receptor D2 -8.93 N/A N/A 46.03% CHEMBL3084605
DRD3_HUMAN dopamine receptor D3 -8.14 N/A N/A 46.03% CHEMBL3084605
DRD4_HUMAN dopamine receptor D4 -9.19 -9.52 N/A 43.64% CHEMBL24809
EDN1_HUMAN endothelin 1 -7.94 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -10.08 -10.11 -9.98 58.93% CHEMBL481189
FABP5_HUMAN fatty acid binding protein 5 -9.25 -7.21 -6.48 44.12% CHEMBL394440
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.71 N/A N/A 39.82% CHEMBL1999590
GLRA3_HUMAN glycine receptor alpha 3 -9.83 -9.77 -9.36 24.51% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.95 N/A N/A 24.51% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -8.12 -8.85 -8.59 51.20% CHEMBL182558
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.87 -8.33 -7.99 29.27% CHEMBL3936099
HRH1_HUMAN histamine receptor H1 -8.21 N/A N/A 39.91% CHEMBL273199
HYES_HUMAN epoxide hydrolase 2 -9.03 -9.99 -8.97 67.04% CHEMBL1766295
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.67 N/A N/A 54.76% CHEMBL3904297
MDR1_HUMAN ATP binding cassette subfamily B member 1 -9.71 -9.26 N/A 40.93% CHEMBL1521418
MIF_HUMAN macrophage migration inhibitory factor -6.97 -7.55 -7.07 28.50% CHEMBL153425
MK01_HUMAN mitogen-activated protein kinase 1 -9.00 -8.55 -7.70 39.55% CHEMBL4108598
MK03_HUMAN mitogen-activated protein kinase 3 -7.96 -9.79 -8.31 50.00% CHEMBL2263394
MTOR_HUMAN mechanistic target of rapamycin kinase -9.66 -9.72 -10.07 43.09% CHEMBL2158842
NEP_HUMAN membrane metalloendopeptidase -8.62 -8.08 -8.95 34.70% CHEMBL3145341
NK1R_HUMAN tachykinin receptor 1 -8.94 -9.06 -9.52 33.50% CHEMBL43044
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.98 -9.98 -7.47 26.92% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -11.39 -9.71 -9.97 30.37% CHEMBL2013201
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.11 -7.78 -7.47 29.95% CHEMBL164322
NOS1_HUMAN nitric oxide synthase 1 -9.28 -8.38 -8.87 33.87% CHEMBL185444
NOS2_HUMAN nitric oxide synthase 2 -8.67 -10.20 -9.96 30.14% CHEMBL374300
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.19 -10.76 -10.81 39.63% CHEMBL3901030
OPRD_HUMAN opioid receptor delta 1 -9.09 -7.75 -8.57 35.59% CHEMBL212368
OPRK_HUMAN opioid receptor kappa 1 -10.11 -8.75 -9.15 47.89% CHEMBL1765684
OPRM_MOUSE Mu-type opioid receptor -10.05 -8.74 N/A 34.52% CHEMBL605510
OPRX_HUMAN opioid related nociceptin receptor 1 -8.63 -8.63 -7.90 54.10% CHEMBL558524
P2RX3_HUMAN purinergic receptor P2X 3 -6.40 -6.31 -6.92 32.08% CHEMBL3959244
P2Y12_HUMAN purinergic receptor P2Y12 -9.95 -7.17 -7.84 35.96% CHEMBL3325792
PAR1_HUMAN coagulation factor II thrombin receptor -7.56 N/A N/A 30.95% CHEMBL63426
PDE4B_HUMAN phosphodiesterase 4B -10.63 -11.38 -11.28 38.22% CHEMBL3629001
PDE5A_HUMAN phosphodiesterase 5A -10.49 -11.28 -10.63 40.00% CHEMBL543016
PERM_HUMAN myeloperoxidase -9.09 -9.30 -9.28 31.53% CHEMBL3633251
PGH1_SHEEP Prostaglandin G/H synthase 1 -8.15 -7.62 -8.64 84.21% CHEMBL280636
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -8.99 -9.89 -11.85 100.00% CHEMBL118
PPAP_HUMAN acid phosphatase 3 -8.68 N/A N/A 20.00% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.43 -10.20 -9.74 45.85% CHEMBL208472
PRGR_HUMAN progesterone receptor -1.79 -0.68 -8.65 52.83% CHEMBL1929041
PTGES_HUMAN prostaglandin E synthase -7.39 N/A N/A 100.00% CHEMBL118
SC6A4_HUMAN solute carrier family 6 member 4 -10.17 -9.89 -9.57 38.80% CHEMBL3703730
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.31 N/A N/A 53.41% CHEMBL3682673
TLR4_HUMAN toll like receptor 4 -8.20 -8.08 -9.15 30.05% CHEMBL1824677
TNFA_HUMAN tumor necrosis factor -8.06 N/A N/A 36.87% CHEMBL143886
TRBM_HUMAN thrombomodulin -8.53 -7.82 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.89 -8.72 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -10.26 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.97 N/A N/A 48.76% CHEMBL3689042
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.60 -8.92 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.71 -8.62 N/A 43.88% CHEMBL3696449
TRXR1_HUMAN thioredoxin reductase 1 -8.54 -8.03 -6.95 N/A N/A
TRY1_HUMAN serine protease 1 -7.08 N/A N/A 53.72% CHEMBL134736