lvkui19001 #292 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 -9.32 -9.05 -9.04 41.60% CHEMBL1290716
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.89 -9.57 N/A 49.35% CHEMBL38633
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.88 -9.39 -9.31 56.82% CHEMBL299498
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.83 -8.80 N/A 56.82% CHEMBL299498
AA1R_HUMAN adenosine A1 receptor -9.12 -9.39 -9.31 36.89% CHEMBL541185
AA2AR_HUMAN adenosine A2a receptor -9.48 -9.35 -10.07 56.96% CHEMBL603095
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.82 -9.61 -10.79 41.96% CHEMBL488590
ACE_HUMAN angiotensin I converting enzyme -8.82 -8.55 -8.56 35.11% CHEMBL2435340
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -8.01 N/A N/A 21.35% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.67 -5.43 -6.93 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.46 -6.04 N/A 44.26% CHEMBL355874
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.59 -9.30 N/A 42.64% CHEMBL2021479
ADRB2_HUMAN adrenoceptor beta 2 -8.58 -8.87 -9.72 43.41% CHEMBL1083053
AGTR2_HUMAN angiotensin II receptor type 2 -8.08 -8.14 -7.86 32.32% CHEMBL305956
ALDR_HUMAN aldo-keto reductase family 1 member B -8.58 -9.14 -9.29 34.32% CHEMBL139666
AMPN_HUMAN alanyl aminopeptidase, membrane -8.79 -9.40 -8.51 32.46% CHEMBL2204943
AOFA_HUMAN monoamine oxidase A -9.63 -9.60 -9.86 36.51% CHEMBL4097487
AOFB_HUMAN monoamine oxidase B -9.65 -9.83 -9.95 37.04% CHEMBL3319245
BACE1_HUMAN beta-secretase 1 -7.55 -7.81 -9.01 40.16% CHEMBL572940
CAH2_HUMAN carbonic anhydrase 2 -7.35 -7.55 -7.19 42.99% CHEMBL2377779
CASP1_HUMAN caspase 1 -6.50 -7.81 -6.73 39.74% CHEMBL308700
CDK5_HUMAN cyclin dependent kinase 5 -7.91 -8.83 -10.16 38.02% CHEMBL1981782
CHLE_HUMAN butyrylcholinesterase -10.01 -9.18 -9.20 41.96% CHEMBL488590
CNR1_HUMAN cannabinoid receptor 1 -8.73 -8.95 -10.12 41.67% CHEMBL527031
CNR2_HUMAN cannabinoid receptor 2 -9.82 -8.96 N/A 44.83% CHEMBL393792
COLI_HUMAN proopiomelanocortin -9.13 -8.70 -8.91 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.75 -6.28 -6.59 32.17% CHEMBL3797305
CRP_HUMAN C-reactive protein -6.34 -6.05 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.50 N/A N/A 29.06% CHEMBL239767
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.48 -7.37 -8.56 31.90% CHEMBL3893083
DRD2_HUMAN dopamine receptor D2 -8.86 N/A N/A 48.65% CHEMBL126285
DRD3_HUMAN dopamine receptor D3 -7.88 N/A N/A 48.65% CHEMBL126285
DRD4_HUMAN dopamine receptor D4 -8.78 -8.95 N/A 44.76% CHEMBL4094407
EDN1_HUMAN endothelin 1 -7.41 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.71 -6.67 -6.83 33.57% CHEMBL1433745
FABP5_HUMAN fatty acid binding protein 5 -8.58 -6.23 -6.27 25.45% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.49 N/A N/A 40.15% CHEMBL1969502
GLRA3_HUMAN glycine receptor alpha 3 -9.68 -9.37 -9.32 19.14% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -9.69 N/A N/A 19.14% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -7.84 -9.22 -8.55 37.89% CHEMBL1682800
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.77 -6.63 -7.42 33.83% CHEMBL3425951
HRH1_HUMAN histamine receptor H1 -7.96 N/A N/A 35.93% CHEMBL1729417
HYES_HUMAN epoxide hydrolase 2 -8.96 -9.78 -8.44 42.86% CHEMBL2392749
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.72 N/A N/A 34.55% CHEMBL21156
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.11 -8.77 N/A 44.05% CHEMBL2074833
MIF_HUMAN macrophage migration inhibitory factor -6.77 -7.94 -6.78 27.34% CHEMBL523238
MK01_HUMAN mitogen-activated protein kinase 1 -8.85 -8.25 -7.99 40.15% CHEMBL1969502
MK03_HUMAN mitogen-activated protein kinase 3 -9.48 -9.14 -8.44 29.32% CHEMBL302449
MTOR_HUMAN mechanistic target of rapamycin kinase -8.81 -9.05 -9.09 52.83% CHEMBL1259137
NEP_HUMAN membrane metalloendopeptidase -7.98 -7.72 -8.04 42.86% CHEMBL213944
NK1R_HUMAN tachykinin receptor 1 -8.41 -9.06 -9.04 38.22% CHEMBL421591
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.57 -9.24 -9.05 15.62% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.18 -9.22 -9.82 29.32% CHEMBL218067
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.95 -9.23 -9.05 30.38% CHEMBL162293
NOS1_HUMAN nitric oxide synthase 1 -9.61 -9.79 -8.87 36.22% CHEMBL3216306
NOS2_HUMAN nitric oxide synthase 2 -7.38 -7.91 -8.34 39.39% CHEMBL470908
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.21 -9.34 -9.09 41.18% CHEMBL2380845
OPRD_HUMAN opioid receptor delta 1 -8.01 -7.10 -7.58 36.89% CHEMBL493621
OPRK_HUMAN opioid receptor kappa 1 -9.47 -8.67 -8.28 46.92% CHEMBL14905
OPRM_MOUSE Mu-type opioid receptor -8.10 -8.05 N/A 32.46% CHEMBL197479
OPRX_HUMAN opioid related nociceptin receptor 1 -7.71 -7.61 -7.84 37.31% CHEMBL3665436
P2RX3_HUMAN purinergic receptor P2X 3 -6.41 -6.37 -6.41 30.97% CHEMBL3669705
P2Y12_HUMAN purinergic receptor P2Y12 -9.04 -8.77 -9.25 30.00% CHEMBL2103828
PAR1_HUMAN coagulation factor II thrombin receptor -8.83 N/A N/A 31.06% CHEMBL3658407
PDE4B_HUMAN phosphodiesterase 4B -9.38 -9.63 -9.88 30.38% CHEMBL3644499
PDE5A_HUMAN phosphodiesterase 5A -9.27 -9.61 -9.98 37.29% CHEMBL557266
PERM_HUMAN myeloperoxidase -9.10 -9.64 -9.25 36.22% CHEMBL1409565
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.80 -8.81 -8.99 30.36% CHEMBL8916
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.52 -7.81 -9.20 31.75% CHEMBL596692
PPAP_HUMAN acid phosphatase 3 -8.33 N/A N/A 13.22% CHEMBL68858
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.33 -8.86 -9.39 36.14% CHEMBL3959627
PRGR_HUMAN progesterone receptor -8.02 -8.27 -8.26 40.30% CHEMBL4082878
PTGES_HUMAN prostaglandin E synthase -7.03 N/A N/A 41.82% CHEMBL3604190
SC6A4_HUMAN solute carrier family 6 member 4 -9.20 -9.04 -9.55 41.60% CHEMBL1290716
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.54 N/A N/A 33.75% CHEMBL3797267
TLR4_HUMAN toll like receptor 4 -7.47 -7.42 -8.27 27.27% CHEMBL2419472
TNFA_HUMAN tumor necrosis factor -8.20 N/A N/A 37.70% CHEMBL3984643
TRBM_HUMAN thrombomodulin -8.38 -7.54 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.44 -6.68 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.81 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -7.16 N/A N/A 43.81% CHEMBL104028
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.80 -9.61 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.63 -7.89 N/A 27.70% CHEMBL3696458
TRXR1_HUMAN thioredoxin reductase 1 -8.25 -8.07 -6.67 N/A N/A
TRY1_HUMAN serine protease 1 -6.59 N/A N/A 38.65% CHEMBL290947