Zjut-Gpcr #197 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 -7.35 -6.87 -7.49 21.25% CHEMBL2260929
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.19 -8.00 N/A 33.33% CHEMBL444761
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.59 -6.86 -7.00 32.81% CHEMBL506727
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.93 -8.08 N/A 32.81% CHEMBL506727
AA1R_HUMAN adenosine A1 receptor -7.45 -7.18 -7.45 22.52% CHEMBL97687
AA2AR_HUMAN adenosine A2a receptor -7.95 -7.79 -7.94 22.52% CHEMBL97687
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -7.53 -6.82 -9.09 29.27% CHEMBL9113
ACE_HUMAN angiotensin I converting enzyme -5.91 -5.88 -5.85 19.63% CHEMBL513671
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.92 N/A N/A 8.79% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.20 -6.92 -7.02 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.73 -5.71 N/A 21.52% CHEMBL2377384
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.77 -7.44 N/A 21.52% CHEMBL2377384
ADRB2_HUMAN adrenoceptor beta 2 -6.55 -6.89 -7.63 25.33% CHEMBL4062049
AGTR2_HUMAN angiotensin II receptor type 2 -7.42 -7.68 -7.54 14.39% CHEMBL290286
ALDR_HUMAN aldo-keto reductase family 1 member B -7.52 -7.20 -7.26 22.62% CHEMBL51483
AMPN_HUMAN alanyl aminopeptidase, membrane -6.59 -8.12 -6.52 26.73% CHEMBL1852660
AOFA_HUMAN monoamine oxidase A -7.43 -7.38 -8.33 24.71% CHEMBL2426048
AOFB_HUMAN monoamine oxidase B -7.76 -8.15 -7.46 29.85% CHEMBL2204773
BACE1_HUMAN beta-secretase 1 -5.17 -6.12 -6.61 21.17% CHEMBL252189
CAH2_HUMAN carbonic anhydrase 2 -6.67 -6.90 -6.76 36.76% CHEMBL3764147
CASP1_HUMAN caspase 1 -5.00 -6.03 -4.92 17.65% CHEMBL410908
CDK5_HUMAN cyclin dependent kinase 5 -6.65 -7.17 -8.47 26.92% CHEMBL1984500
CHLE_HUMAN butyrylcholinesterase -6.98 -6.99 -7.17 28.77% CHEMBL1771549
CNR1_HUMAN cannabinoid receptor 1 -6.88 -7.33 -7.75 27.14% CHEMBL3915185
CNR2_HUMAN cannabinoid receptor 2 -7.51 -8.27 N/A 27.78% CHEMBL16901
COLI_HUMAN proopiomelanocortin -7.34 -7.03 -6.84 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.60 -5.37 -5.40 20.43% CHEMBL3335576
CRP_HUMAN C-reactive protein -5.13 -4.92 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.07 N/A N/A 17.12% CHEMBL218665
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.02 -5.57 -6.35 19.18% CHEMBL543895
DRD2_HUMAN dopamine receptor D2 -7.43 N/A N/A 29.33% CHEMBL92817
DRD3_HUMAN dopamine receptor D3 -7.07 N/A N/A 29.33% CHEMBL92817
DRD4_HUMAN dopamine receptor D4 -6.90 -6.94 N/A 26.19% CHEMBL395631
EDN1_HUMAN endothelin 1 -6.96 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.41 -7.07 -7.10 53.06% CHEMBL194936
FABP5_HUMAN fatty acid binding protein 5 -6.40 -4.84 -4.65 15.44% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.20 N/A N/A 22.89% CHEMBL1968394
GLRA3_HUMAN glycine receptor alpha 3 -7.37 -7.08 -7.12 7.00% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -7.81 N/A N/A 7.00% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -6.61 -8.63 -8.42 23.33% CHEMBL2335295
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.74 -6.07 -6.17 20.00% CHEMBL2035656
HRH1_HUMAN histamine receptor H1 -7.62 N/A N/A 26.53% CHEMBL317900
HYES_HUMAN epoxide hydrolase 2 -7.22 -7.16 -6.96 23.60% CHEMBL3765559
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -7.71 N/A N/A 22.61% CHEMBL1973937
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.39 -7.33 N/A 31.58% CHEMBL342696
MIF_HUMAN macrophage migration inhibitory factor -6.21 -6.41 -6.31 26.14% CHEMBL223266
MK01_HUMAN mitogen-activated protein kinase 1 -6.47 -6.16 -7.09 23.17% CHEMBL1977135
MK03_HUMAN mitogen-activated protein kinase 3 -6.87 -6.99 -6.14 19.82% CHEMBL3798109
MTOR_HUMAN mechanistic target of rapamycin kinase -8.15 -8.40 -7.59 19.23% CHEMBL3623601
NEP_HUMAN membrane metalloendopeptidase -7.27 -6.10 -5.94 27.47% CHEMBL4082357
NK1R_HUMAN tachykinin receptor 1 -6.71 -6.98 -6.35 30.85% CHEMBL202720
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.18 -8.10 -7.98 13.00% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.18 -7.24 -8.51 24.64% CHEMBL159530
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.29 -8.00 -7.98 17.65% CHEMBL86313
NOS1_HUMAN nitric oxide synthase 1 -7.34 -7.38 -6.78 26.03% CHEMBL545025
NOS2_HUMAN nitric oxide synthase 2 -5.76 -6.46 -6.80 31.58% CHEMBL462334
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.87 -7.53 -7.39 23.33% CHEMBL1971519
OPRD_HUMAN opioid receptor delta 1 -6.77 -5.86 -6.57 19.74% CHEMBL4094512
OPRK_HUMAN opioid receptor kappa 1 -6.82 -7.19 -6.52 22.77% CHEMBL283552
OPRM_MOUSE Mu-type opioid receptor -7.25 -6.25 N/A 22.77% CHEMBL283552
OPRX_HUMAN opioid related nociceptin receptor 1 -6.06 -6.39 -6.18 21.51% CHEMBL232067
P2RX3_HUMAN purinergic receptor P2X 3 -4.45 -4.82 -4.53 17.65% CHEMBL3669707
P2Y12_HUMAN purinergic receptor P2Y12 -7.83 -7.49 -6.95 17.32% CHEMBL599606
PAR1_HUMAN coagulation factor II thrombin receptor -7.28 N/A N/A 21.51% CHEMBL2047297
PDE4B_HUMAN phosphodiesterase 4B -7.50 -8.61 -8.03 21.01% CHEMBL1957299
PDE5A_HUMAN phosphodiesterase 5A -7.43 -7.66 -7.87 19.81% CHEMBL557266
PERM_HUMAN myeloperoxidase -6.59 -7.03 -6.90 21.43% CHEMBL4069712
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.43 -7.44 -7.41 30.00% CHEMBL161052
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.93 -6.44 -8.10 29.03% CHEMBL317434
PPAP_HUMAN acid phosphatase 3 -6.44 N/A N/A 17.44% CHEMBL498632
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.53 -7.11 -6.77 22.22% CHEMBL182884
PRGR_HUMAN progesterone receptor -7.06 -6.93 -7.30 24.79% CHEMBL25015
PTGES_HUMAN prostaglandin E synthase -5.80 N/A N/A 20.43% CHEMBL1683209
SC6A4_HUMAN solute carrier family 6 member 4 -8.05 -7.46 -7.42 27.94% CHEMBL1683903
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.34 N/A N/A 25.00% CHEMBL3682634
TLR4_HUMAN toll like receptor 4 -6.60 -6.30 -7.23 15.70% CHEMBL2419456
TNFA_HUMAN tumor necrosis factor -6.63 N/A N/A 15.97% CHEMBL1417851
TRBM_HUMAN thrombomodulin -5.87 -5.85 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.69 -5.82 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.12 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.96 N/A N/A 23.15% CHEMBL387433
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -5.70 -6.66 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.41 -6.05 N/A 16.54% CHEMBL3696429
TRXR1_HUMAN thioredoxin reductase 1 -5.92 -6.68 -5.43 N/A N/A
TRY1_HUMAN serine protease 1 -5.00 N/A N/A 32.29% CHEMBL328772