Test2 #297 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 -6.67 -6.64 -5.91 52.83% CHEMBL129661
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.12 -6.18 N/A 48.94% CHEMBL277120
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.01 -5.91 -6.02 44.62% CHEMBL57135
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.24 -6.31 N/A 44.62% CHEMBL57135
AA1R_HUMAN adenosine A1 receptor -5.56 -5.73 -5.75 36.27% CHEMBL1814055
AA2AR_HUMAN adenosine A2a receptor -5.97 -5.95 -5.88 36.27% CHEMBL1814055
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.48 -6.28 -6.89 66.67% CHEMBL60745
ACE_HUMAN angiotensin I converting enzyme -6.06 -5.47 -5.44 46.03% CHEMBL322069
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -4.80 N/A N/A 12.79% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.76 -6.43 -6.28 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.40 -7.19 N/A 37.63% CHEMBL1092460
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.42 -5.80 N/A 34.09% CHEMBL7568
ADRB2_HUMAN adrenoceptor beta 2 -6.09 -6.39 -6.58 41.18% CHEMBL13102
AGTR2_HUMAN angiotensin II receptor type 2 -5.86 -6.03 -5.90 29.00% CHEMBL290829
ALDR_HUMAN aldo-keto reductase family 1 member B -6.71 -6.22 -7.00 25.00% CHEMBL240719
AMPN_HUMAN alanyl aminopeptidase, membrane -5.89 -6.18 -5.50 34.02% CHEMBL2332527
AOFA_HUMAN monoamine oxidase A -6.26 -6.14 -6.29 39.19% CHEMBL3546846
AOFB_HUMAN monoamine oxidase B -6.27 -6.40 -6.62 47.30% CHEMBL3319245
BACE1_HUMAN beta-secretase 1 -4.81 -5.36 -5.45 37.23% CHEMBL3354259
CAH2_HUMAN carbonic anhydrase 2 -5.71 -5.78 -5.66 62.71% CHEMBL68590
CASP1_HUMAN caspase 1 -4.67 -5.09 -5.06 28.57% CHEMBL1221595
CDK5_HUMAN cyclin dependent kinase 5 -5.94 -6.39 -6.50 42.17% CHEMBL1988141
CHLE_HUMAN butyrylcholinesterase -6.00 -5.90 -6.12 40.62% CHEMBL54126
CNR1_HUMAN cannabinoid receptor 1 -5.92 -6.14 -6.28 49.33% CHEMBL200094
CNR2_HUMAN cannabinoid receptor 2 -6.16 -6.08 N/A 41.82% CHEMBL2336559
COLI_HUMAN proopiomelanocortin -5.99 -5.90 -5.86 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -4.92 -4.82 -5.02 28.57% CHEMBL3818719
CRP_HUMAN C-reactive protein -4.82 -5.01 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.41 N/A N/A 50.79% CHEMBL184637
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.73 -5.63 -5.82 29.33% CHEMBL2347630
DRD2_HUMAN dopamine receptor D2 -6.47 N/A N/A 50.91% CHEMBL447809
DRD3_HUMAN dopamine receptor D3 -6.05 N/A N/A 49.12% CHEMBL2165674
DRD4_HUMAN dopamine receptor D4 -6.38 -6.37 N/A 55.22% CHEMBL184772
EDN1_HUMAN endothelin 1 -5.63 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.88 -5.81 -5.84 61.67% CHEMBL3645266
FABP5_HUMAN fatty acid binding protein 5 -5.25 -4.46 -4.70 19.15% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -5.86 N/A N/A 42.17% CHEMBL1988141
GLRA3_HUMAN glycine receptor alpha 3 -5.86 -6.01 -6.05 15.23% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -6.43 N/A N/A 15.23% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.77 -6.97 -7.16 41.18% CHEMBL1080481
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.40 -5.76 -6.36 28.69% CHEMBL2035649
HRH1_HUMAN histamine receptor H1 -6.90 N/A N/A 40.58% CHEMBL1940414
HYES_HUMAN epoxide hydrolase 2 -6.17 -6.04 -5.88 54.24% CHEMBL2031937
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -5.87 N/A N/A 35.85% CHEMBL1725279
MDR1_HUMAN ATP binding cassette subfamily B member 1 -5.31 -6.00 N/A 37.66% CHEMBL311469
MIF_HUMAN macrophage migration inhibitory factor -7.37 -6.90 -7.42 25.97% CHEMBL224086
MK01_HUMAN mitogen-activated protein kinase 1 -5.62 -5.80 -5.14 46.67% CHEMBL24944
MK03_HUMAN mitogen-activated protein kinase 3 -5.52 -6.01 -5.64 28.69% CHEMBL1336
MTOR_HUMAN mechanistic target of rapamycin kinase -6.16 -6.01 -6.01 30.17% CHEMBL3594042
NEP_HUMAN membrane metalloendopeptidase -6.09 -6.59 -6.47 45.12% CHEMBL467602
NK1R_HUMAN tachykinin receptor 1 -5.62 -6.00 -5.77 37.97% CHEMBL40262
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.44 -6.33 -6.76 12.37% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -6.33 -6.51 -6.64 27.71% CHEMBL3357789
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.42 -6.36 -6.76 22.42% CHEMBL162577
NOS1_HUMAN nitric oxide synthase 1 -7.45 -7.54 -6.73 41.94% CHEMBL500924
NOS2_HUMAN nitric oxide synthase 2 -6.57 -6.55 -6.75 32.35% CHEMBL555584
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -5.78 -6.08 -6.09 42.17% CHEMBL1988141
OPRD_HUMAN opioid receptor delta 1 -5.63 -4.77 -5.46 43.04% CHEMBL416930
OPRK_HUMAN opioid receptor kappa 1 -5.65 -6.23 -6.55 41.18% CHEMBL283552
OPRM_MOUSE Mu-type opioid receptor -6.32 -5.26 N/A 41.18% CHEMBL283552
OPRX_HUMAN opioid related nociceptin receptor 1 -5.31 -5.57 -5.43 38.96% CHEMBL3665425
P2RX3_HUMAN purinergic receptor P2X 3 -4.53 -4.48 -4.71 33.33% CHEMBL3958199
P2Y12_HUMAN purinergic receptor P2Y12 -6.12 -6.33 -6.64 24.32% CHEMBL90958
PAR1_HUMAN coagulation factor II thrombin receptor -6.67 N/A N/A 38.04% CHEMBL2048425
PDE4B_HUMAN phosphodiesterase 4B -6.02 -6.41 -6.11 31.82% CHEMBL3884788
PDE5A_HUMAN phosphodiesterase 5A -5.66 -5.84 -5.81 28.57% CHEMBL41236
PERM_HUMAN myeloperoxidase -5.83 -6.24 -6.40 33.33% CHEMBL251689
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.34 -5.93 -7.17 42.86% CHEMBL9020
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.85 -6.12 -6.31 42.68% CHEMBL291338
PPAP_HUMAN acid phosphatase 3 -5.49 N/A N/A 17.00% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -5.61 -5.93 -5.53 32.46% CHEMBL119798
PRGR_HUMAN progesterone receptor -6.16 -6.27 -5.81 40.85% CHEMBL3397781
PTGES_HUMAN prostaglandin E synthase -5.15 N/A N/A 37.18% CHEMBL3770196
SC6A4_HUMAN solute carrier family 6 member 4 -6.07 -6.08 -6.06 43.48% CHEMBL3317705
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.20 N/A N/A 33.33% CHEMBL2152694
TLR4_HUMAN toll like receptor 4 -5.34 -5.13 -5.16 47.44% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -5.33 N/A N/A 40.66% CHEMBL1700405
TRBM_HUMAN thrombomodulin -6.07 -5.85 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.29 -5.43 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -5.64 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.80 N/A N/A 65.96% CHEMBL342003
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.24 -6.02 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -5.27 -5.43 N/A 24.64% CHEMBL3940143
TRXR1_HUMAN thioredoxin reductase 1 -5.96 -6.04 -4.64 N/A N/A
TRY1_HUMAN serine protease 1 -5.81 N/A N/A 46.03% CHEMBL104937