lvkui #290 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 -9.27 -9.21 -9.29 35.06% CHEMBL302263
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.07 -9.59 N/A 36.96% CHEMBL3676914
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.07 -9.65 -9.28 33.16% CHEMBL236587
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.90 -9.03 N/A 35.08% CHEMBL3358107
AA1R_HUMAN adenosine A1 receptor -9.10 -9.02 -9.70 37.65% CHEMBL196375
AA2AR_HUMAN adenosine A2a receptor -9.14 -8.87 -9.65 37.65% CHEMBL196375
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -10.00 -9.68 -9.49 42.44% CHEMBL1819174
ACE_HUMAN angiotensin I converting enzyme -8.36 -8.77 -8.15 26.90% CHEMBL264538
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.91 N/A N/A 24.00% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.21 -6.20 -4.94 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.22 -0.72 N/A 44.59% CHEMBL2042533
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.24 -9.63 N/A 30.48% CHEMBL1223806
ADRB2_HUMAN adrenoceptor beta 2 -8.52 -8.75 -9.41 36.96% CHEMBL1728955
AGTR2_HUMAN angiotensin II receptor type 2 -8.66 -8.04 -8.65 28.05% CHEMBL2435828
ALDR_HUMAN aldo-keto reductase family 1 member B -9.00 -9.17 -9.11 39.47% CHEMBL282245
AMPN_HUMAN alanyl aminopeptidase, membrane -9.13 -9.15 -8.87 26.87% CHEMBL1077591
AOFA_HUMAN monoamine oxidase A -9.63 -9.93 -10.45 36.94% CHEMBL3113638
AOFB_HUMAN monoamine oxidase B -10.44 -11.11 -10.53 40.30% CHEMBL315361
BACE1_HUMAN beta-secretase 1 -7.82 -8.18 -8.76 37.58% CHEMBL1821830
CAH2_HUMAN carbonic anhydrase 2 -8.10 -7.94 -7.76 34.39% CHEMBL1938473
CASP1_HUMAN caspase 1 -6.85 -8.11 -6.91 31.36% CHEMBL115336
CDK5_HUMAN cyclin dependent kinase 5 -8.88 -9.07 -9.83 37.31% CHEMBL1989471
CHLE_HUMAN butyrylcholinesterase -9.02 -9.19 -9.07 42.44% CHEMBL1819174
CNR1_HUMAN cannabinoid receptor 1 -8.60 -9.32 -10.22 43.90% CHEMBL1091466
CNR2_HUMAN cannabinoid receptor 2 -9.81 -9.16 N/A 43.81% CHEMBL1089351
COLI_HUMAN proopiomelanocortin -8.73 -8.90 -9.00 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.79 -6.19 -6.51 30.77% CHEMBL3799913
CRP_HUMAN C-reactive protein -6.77 -6.88 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.04 N/A N/A 30.88% CHEMBL3609016
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.98 -7.53 -8.87 29.86% CHEMBL568245
DRD2_HUMAN dopamine receptor D2 -9.43 N/A N/A 36.96% CHEMBL3676914
DRD3_HUMAN dopamine receptor D3 -8.56 N/A N/A 36.96% CHEMBL3676914
DRD4_HUMAN dopamine receptor D4 -9.22 -9.60 N/A 34.78% CHEMBL3818940
EDN1_HUMAN endothelin 1 -7.89 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.07 -8.90 -8.92 35.44% CHEMBL187314
FABP5_HUMAN fatty acid binding protein 5 -8.22 -6.68 -6.38 39.01% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.40 N/A N/A 38.95% CHEMBL1990884
GLRA3_HUMAN glycine receptor alpha 3 -8.71 -8.63 -8.55 27.16% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -9.94 N/A N/A 27.16% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -8.88 -6.69 -6.58 41.90% CHEMBL439571
HPGDS_HUMAN hematopoietic prostaglandin D synthase -9.02 -8.69 -9.35 30.48% CHEMBL3425968
HRH1_HUMAN histamine receptor H1 -8.04 N/A N/A 33.33% CHEMBL3967709
HYES_HUMAN epoxide hydrolase 2 -8.82 -10.19 -8.04 33.87% CHEMBL552402
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.65 N/A N/A 42.41% CHEMBL1761509
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.73 -8.91 N/A 38.12% CHEMBL583
MIF_HUMAN macrophage migration inhibitory factor -6.00 -8.19 -5.80 35.15% CHEMBL523238
MK01_HUMAN mitogen-activated protein kinase 1 -9.00 -8.11 -8.58 36.20% CHEMBL3663094
MK03_HUMAN mitogen-activated protein kinase 3 -8.76 -9.17 -8.24 29.69% CHEMBL1089119
MTOR_HUMAN mechanistic target of rapamycin kinase -8.98 -9.32 -9.35 45.76% CHEMBL3890780
NEP_HUMAN membrane metalloendopeptidase -8.09 -7.79 -8.41 29.70% CHEMBL3677667
NK1R_HUMAN tachykinin receptor 1 -8.95 -9.07 -8.32 36.21% CHEMBL451773
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.71 -8.47 -7.65 17.37% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.01 -9.97 -10.56 31.68% CHEMBL444384
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.70 -8.48 -7.65 31.84% CHEMBL325890
NOS1_HUMAN nitric oxide synthase 1 -9.30 -9.46 -9.85 33.33% CHEMBL450726
NOS2_HUMAN nitric oxide synthase 2 -7.77 -9.40 -9.31 33.33% CHEMBL450726
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.63 -10.46 -10.74 43.48% CHEMBL3666250
OPRD_HUMAN opioid receptor delta 1 -8.04 -7.20 -7.39 34.59% CHEMBL390912
OPRK_HUMAN opioid receptor kappa 1 -9.36 -8.88 -8.94 38.12% CHEMBL390911
OPRM_MOUSE Mu-type opioid receptor -8.18 -8.03 N/A 29.27% CHEMBL363677
OPRX_HUMAN opioid related nociceptin receptor 1 -7.82 -7.26 -8.34 30.57% CHEMBL481707
P2RX3_HUMAN purinergic receptor P2X 3 -6.60 -6.21 -6.96 36.52% CHEMBL3971364
P2Y12_HUMAN purinergic receptor P2Y12 -9.14 -8.25 -9.24 31.61% CHEMBL88708
PAR1_HUMAN coagulation factor II thrombin receptor -9.65 N/A N/A 30.72% CHEMBL292089
PDE4B_HUMAN phosphodiesterase 4B -9.48 -10.35 -10.28 42.13% CHEMBL1830790
PDE5A_HUMAN phosphodiesterase 5A -10.06 -9.74 -9.83 39.13% CHEMBL4069398
PERM_HUMAN myeloperoxidase -8.67 -8.53 -7.72 32.28% CHEMBL3739661
PGH1_SHEEP Prostaglandin G/H synthase 1 -9.36 -9.50 -9.57 31.40% CHEMBL1223901
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -8.39 -8.47 -8.24 42.00% CHEMBL63323
PPAP_HUMAN acid phosphatase 3 -8.81 N/A N/A 14.12% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -8.36 -8.39 -8.90 39.45% CHEMBL149309
PRGR_HUMAN progesterone receptor -9.41 -9.11 -9.12 35.40% CHEMBL1835813
PTGES_HUMAN prostaglandin E synthase -7.85 N/A N/A 40.23% CHEMBL4101413
SC6A4_HUMAN solute carrier family 6 member 4 -9.68 -9.67 -9.85 36.27% CHEMBL439849
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -9.50 N/A N/A 31.50% CHEMBL3920545
TLR4_HUMAN toll like receptor 4 -8.00 -7.45 -7.82 47.71% CHEMBL2419462
TNFA_HUMAN tumor necrosis factor -7.99 N/A N/A 36.31% CHEMBL3984643
TRBM_HUMAN thrombomodulin -8.32 -8.44 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -8.02 -8.03 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.62 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -9.25 N/A N/A 34.71% CHEMBL215433
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.01 -7.38 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.75 -7.54 N/A 28.02% CHEMBL3941182
TRXR1_HUMAN thioredoxin reductase 1 -7.36 -7.65 -7.52 N/A N/A
TRY1_HUMAN serine protease 1 -7.03 N/A N/A 31.86% CHEMBL165932