my test #454 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 -5.02 -5.24 -5.13 20.45% CHEMBL140417
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -5.21 -4.87 N/A 30.23% CHEMBL493130
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -4.93 -4.57 -4.85 30.23% CHEMBL493130
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -4.61 -5.35 N/A 30.23% CHEMBL493130
AA1R_HUMAN adenosine A1 receptor -4.82 -4.70 -4.84 15.48% CHEMBL3903115
AA2AR_HUMAN adenosine A2a receptor -4.85 -4.91 -4.75 19.12% CHEMBL2346672
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -4.87 -4.49 -5.58 65.00% CHEMBL352215
ACE_HUMAN angiotensin I converting enzyme -4.66 -4.34 -4.10 15.12% CHEMBL467755
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -3.74 N/A N/A 5.59% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.78 -5.16 -5.30 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -5.40 -6.11 N/A 20.31% CHEMBL3085029
ACM4_HUMAN cholinergic receptor muscarinic 4 -5.36 -4.82 N/A 24.07% CHEMBL1643900
ADRB2_HUMAN adrenoceptor beta 2 -4.97 -5.05 -4.98 16.67% CHEMBL3290995
AGTR2_HUMAN angiotensin II receptor type 2 -5.52 -5.68 -5.45 8.25% CHEMBL290829
ALDR_HUMAN aldo-keto reductase family 1 member B -5.08 -4.99 -5.34 15.12% CHEMBL425922
AMPN_HUMAN alanyl aminopeptidase, membrane -4.64 -4.93 -4.43 16.05% CHEMBL2204954
AOFA_HUMAN monoamine oxidase A -4.92 -4.79 -5.09 23.64% CHEMBL3415798
AOFB_HUMAN monoamine oxidase B -4.94 -5.07 -5.26 25.49% CHEMBL1818874
BACE1_HUMAN beta-secretase 1 -4.32 -4.09 -4.55 26.00% CHEMBL1424080
CAH2_HUMAN carbonic anhydrase 2 -4.54 -4.50 -4.65 30.23% CHEMBL332145
CASP1_HUMAN caspase 1 -3.75 -4.58 -3.45 11.84% CHEMBL466565
CDK5_HUMAN cyclin dependent kinase 5 -5.44 -5.31 -5.49 18.57% CHEMBL1971519
CHLE_HUMAN butyrylcholinesterase -4.70 -4.72 -4.98 17.57% CHEMBL229105
CNR1_HUMAN cannabinoid receptor 1 -4.65 -4.89 -5.48 18.57% CHEMBL4078901
CNR2_HUMAN cannabinoid receptor 2 -5.41 -5.25 N/A 15.85% CHEMBL3963183
COLI_HUMAN proopiomelanocortin -4.64 -4.57 -5.06 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -3.96 -3.74 -4.38 15.85% CHEMBL4171117
CRP_HUMAN C-reactive protein -3.92 -3.65 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.86 N/A N/A 13.13% CHEMBL3609011
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -5.23 -4.17 -5.02 16.33% CHEMBL18442
DRD2_HUMAN dopamine receptor D2 -5.39 N/A N/A 22.41% CHEMBL138792
DRD3_HUMAN dopamine receptor D3 -4.62 N/A N/A 22.41% CHEMBL138792
DRD4_HUMAN dopamine receptor D4 -4.82 -4.92 N/A 22.03% CHEMBL277937
EDN1_HUMAN endothelin 1 -5.02 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -4.72 -4.49 -4.71 36.11% CHEMBL192782
FABP5_HUMAN fatty acid binding protein 5 -4.16 -3.59 -3.46 10.62% CHEMBL4643718
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -4.57 N/A N/A 27.27% CHEMBL307145
GLRA3_HUMAN glycine receptor alpha 3 -4.76 -4.78 -4.84 5.08% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -5.31 N/A N/A 5.08% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -5.31 -5.99 -5.94 32.50% CHEMBL371811
HPGDS_HUMAN hematopoietic prostaglandin D synthase -4.82 -4.88 -4.99 16.05% CHEMBL3925567
HRH1_HUMAN histamine receptor H1 -5.72 N/A N/A 19.70% CHEMBL340816
HYES_HUMAN epoxide hydrolase 2 -4.72 -4.77 -4.84 21.67% CHEMBL243522
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -4.87 N/A N/A 18.06% CHEMBL21156
MDR1_HUMAN ATP binding cassette subfamily B member 1 -4.27 -5.45 N/A 22.03% CHEMBL2398175
MIF_HUMAN macrophage migration inhibitory factor -5.82 -5.41 -5.68 18.06% CHEMBL223198
MK01_HUMAN mitogen-activated protein kinase 1 -4.22 -5.17 -5.00 14.29% CHEMBL1725279
MK03_HUMAN mitogen-activated protein kinase 3 -4.39 -4.82 -4.47 12.20% CHEMBL389685
MTOR_HUMAN mechanistic target of rapamycin kinase -5.73 -5.46 -5.45 13.13% CHEMBL3701140
NEP_HUMAN membrane metalloendopeptidase -4.71 -4.73 -4.81 17.11% CHEMBL11297
NK1R_HUMAN tachykinin receptor 1 -4.89 -4.70 -4.35 19.40% CHEMBL49175
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -5.17 -4.97 -5.25 12.87% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -5.54 -5.72 -5.47 22.41% CHEMBL159879
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -5.17 -4.89 -5.25 10.74% CHEMBL162675
NOS1_HUMAN nitric oxide synthase 1 -6.07 -6.09 -6.13 18.84% CHEMBL4091981
NOS2_HUMAN nitric oxide synthase 2 -6.39 -6.04 -5.90 20.00% CHEMBL4633346
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -5.23 -5.37 -5.28 19.12% CHEMBL1976290
OPRD_HUMAN opioid receptor delta 1 -5.03 -4.20 -4.00 19.40% CHEMBL340834
OPRK_HUMAN opioid receptor kappa 1 -5.01 -4.89 -5.37 22.41% CHEMBL4090181
OPRM_MOUSE Mu-type opioid receptor -5.39 -4.38 N/A 12.31% CHEMBL151416
OPRX_HUMAN opioid related nociceptin receptor 1 -4.50 -4.35 -4.35 22.03% CHEMBL2112346
P2RX3_HUMAN purinergic receptor P2X 3 -3.39 -3.12 -3.58 13.68% CHEMBL3897696
P2Y12_HUMAN purinergic receptor P2Y12 -5.99 -5.11 -5.20 11.86% CHEMBL25
PAR1_HUMAN coagulation factor II thrombin receptor -5.55 N/A N/A 17.57% CHEMBL1729550
PDE4B_HUMAN phosphodiesterase 4B -4.51 -5.08 -5.17 14.63% CHEMBL124706
PDE5A_HUMAN phosphodiesterase 5A -4.79 -4.75 -4.67 11.82% CHEMBL545749
PERM_HUMAN myeloperoxidase -4.87 -5.19 -4.98 23.64% CHEMBL1630722
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.48 -5.69 -5.92 25.00% CHEMBL563
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.06 -4.98 -5.39 27.66% CHEMBL490482
PPAP_HUMAN acid phosphatase 3 -4.53 -4.69 N/A 10.61% CHEMBL498632
PPARG_HUMAN peroxisome proliferator activated receptor gamma -4.57 -5.26 -4.47 18.06% CHEMBL206794
PRGR_HUMAN progesterone receptor -4.67 -4.72 -4.53 22.03% CHEMBL1835827
PTGES_HUMAN prostaglandin E synthase -4.62 N/A N/A 18.06% CHEMBL270347
SC6A4_HUMAN solute carrier family 6 member 4 -4.70 -4.73 -4.68 30.23% CHEMBL465515
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -4.78 N/A N/A 19.70% CHEMBL287833
TLR4_HUMAN toll like receptor 4 -4.59 -5.25 -5.36 12.04% CHEMBL3823499
TNFA_HUMAN tumor necrosis factor -4.40 -4.64 -3.32 12.50% CHEMBL11440
TRBM_HUMAN thrombomodulin -4.28 -4.11 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -4.14 -4.08 N/A 6.73% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -4.90 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -5.20 N/A N/A 24.53% CHEMBL1779671
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -4.43 -5.80 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -4.42 -4.23 N/A 13.00% CHEMBL3696426
TRXR1_HUMAN thioredoxin reductase 1 -4.46 -4.53 -3.41 11.61% CHEMBL4459518
TRY1_HUMAN serine protease 1 -4.31 N/A N/A 14.63% CHEMBL319264