CHEMBL1998112 #355 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 -10.43 -10.46 -9.26 38.35% CHEMBL321562
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.54 -9.42 N/A 47.37% CHEMBL941
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.02 -9.78 -9.92 49.12% CHEMBL1829959
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.08 -9.07 N/A 39.80% CHEMBL115769
AA1R_HUMAN adenosine A1 receptor -9.49 -9.17 -7.53 57.83% CHEMBL1650173
AA2AR_HUMAN adenosine A2a receptor -9.09 -9.30 -10.35 55.13% CHEMBL406714
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.89 -10.73 -10.10 48.56% CHEMBL1085028
ACE_HUMAN angiotensin I converting enzyme -8.87 -8.80 -5.81 30.43% CHEMBL1242210
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.15 N/A N/A 19.60% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.06 -7.99 -4.02 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.32 1.06 N/A 36.11% CHEMBL3747781
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.49 -7.50 N/A 33.50% CHEMBL296419
ADRB2_HUMAN adrenoceptor beta 2 -8.60 -8.67 -9.94 43.75% CHEMBL1406272
AGTR2_HUMAN angiotensin II receptor type 2 -9.09 -9.16 -9.01 37.04% CHEMBL2435824
ALDR_HUMAN aldo-keto reductase family 1 member B -9.01 -9.56 -8.41 29.02% CHEMBL1169757
AMPN_HUMAN alanyl aminopeptidase, membrane -9.20 -9.61 -9.36 28.40% CHEMBL1798007
AOFA_HUMAN monoamine oxidase A -9.64 -8.67 -9.16 42.08% CHEMBL1258955
AOFB_HUMAN monoamine oxidase B -10.14 -6.86 -9.30 37.97% CHEMBL2408565
BACE1_HUMAN beta-secretase 1 -7.70 -8.64 -9.14 41.86% CHEMBL1241481
CAH2_HUMAN carbonic anhydrase 2 -7.79 -8.76 -9.09 47.37% CHEMBL941
CASP1_HUMAN caspase 1 -7.14 -8.97 -7.13 38.83% CHEMBL202025
CDK5_HUMAN cyclin dependent kinase 5 -8.88 -9.15 -7.55 85.89% CHEMBL1190711
CHLE_HUMAN butyrylcholinesterase -10.11 -9.62 -9.83 34.10% CHEMBL219262
CNR1_HUMAN cannabinoid receptor 1 -7.88 -9.52 -10.12 41.99% CHEMBL4105029
CNR2_HUMAN cannabinoid receptor 2 -10.23 -9.82 N/A 44.32% CHEMBL387654
COLI_HUMAN proopiomelanocortin -9.55 -8.85 -9.54 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.65 -6.45 -6.96 30.57% CHEMBL3798524
CRP_HUMAN C-reactive protein -6.81 -7.12 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 1.51 N/A N/A 33.15% CHEMBL3609011
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.14 -8.14 -8.59 32.68% CHEMBL1802329
DRD2_HUMAN dopamine receptor D2 -9.22 N/A N/A 41.67% CHEMBL231078
DRD3_HUMAN dopamine receptor D3 -8.82 N/A N/A 41.67% CHEMBL231078
DRD4_HUMAN dopamine receptor D4 -9.66 -9.81 N/A 41.58% CHEMBL563109
EDN1_HUMAN endothelin 1 -8.61 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.80 -9.42 -8.44 40.78% CHEMBL59184
FABP5_HUMAN fatty acid binding protein 5 -10.16 -6.28 -6.32 38.58% CHEMBL3941588
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -9.95 N/A N/A 50.54% CHEMBL1241473
GLRA3_HUMAN glycine receptor alpha 3 -9.18 -9.29 -9.18 23.88% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -9.50 N/A N/A 23.88% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.95 -10.35 -9.94 42.55% CHEMBL2408571
HPGDS_HUMAN hematopoietic prostaglandin D synthase -8.37 -7.71 -8.24 36.68% CHEMBL264951
HRH1_HUMAN histamine receptor H1 -7.94 N/A N/A 40.38% CHEMBL3752885
HYES_HUMAN epoxide hydrolase 2 -8.66 -9.49 -8.55 46.19% CHEMBL2336313
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -9.80 N/A N/A 58.86% CHEMBL1082511
MDR1_HUMAN ATP binding cassette subfamily B member 1 -8.71 -9.17 N/A 46.08% CHEMBL2135037
MIF_HUMAN macrophage migration inhibitory factor -7.04 -9.10 -6.30 29.54% CHEMBL3917143
MK01_HUMAN mitogen-activated protein kinase 1 -9.61 -8.68 -8.19 85.89% CHEMBL1190711
MK03_HUMAN mitogen-activated protein kinase 3 -8.55 -9.41 -8.52 38.64% CHEMBL3544964
MTOR_HUMAN mechanistic target of rapamycin kinase -9.45 -9.76 -9.51 57.06% CHEMBL565428
NEP_HUMAN membrane metalloendopeptidase -8.84 -7.90 -9.04 35.27% CHEMBL34369
NK1R_HUMAN tachykinin receptor 1 -8.90 -9.03 -9.11 41.00% CHEMBL205829
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.18 -8.38 -8.40 20.90% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.18 -10.19 -10.40 32.96% CHEMBL217904
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.02 -8.28 -8.40 30.08% CHEMBL162577
NOS1_HUMAN nitric oxide synthase 1 -9.30 -9.17 -9.07 39.56% CHEMBL185247
NOS2_HUMAN nitric oxide synthase 2 -8.51 -8.86 -6.76 43.91% CHEMBL220064
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.94 -9.77 -9.39 53.75% CHEMBL2004515
OPRD_HUMAN opioid receptor delta 1 -8.02 -7.63 -7.76 38.46% CHEMBL212368
OPRK_HUMAN opioid receptor kappa 1 -10.24 -9.47 -9.52 35.61% CHEMBL1784685
OPRM_MOUSE Mu-type opioid receptor -9.67 -8.15 N/A 35.78% CHEMBL605510
OPRX_HUMAN opioid related nociceptin receptor 1 -7.95 -8.08 -8.72 35.61% CHEMBL1784685
P2RX3_HUMAN purinergic receptor P2X 3 -6.73 -6.67 -6.92 40.83% CHEMBL3091627
P2Y12_HUMAN purinergic receptor P2Y12 -8.34 -7.67 -9.49 36.09% CHEMBL3322631
PAR1_HUMAN coagulation factor II thrombin receptor -8.13 N/A N/A 31.70% CHEMBL110998
PDE4B_HUMAN phosphodiesterase 4B -8.83 -9.54 -10.21 46.74% CHEMBL1782296
PDE5A_HUMAN phosphodiesterase 5A -10.01 -9.72 -9.18 42.86% CHEMBL541845
PERM_HUMAN myeloperoxidase -9.10 -8.99 -8.55 37.95% CHEMBL581893
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.75 -8.70 -8.95 35.24% CHEMBL368682
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.04 -7.19 -7.38 44.89% CHEMBL561950
PPAP_HUMAN acid phosphatase 3 -8.45 N/A N/A 19.35% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -9.80 -9.59 -10.00 44.04% CHEMBL4078107
PRGR_HUMAN progesterone receptor 0.35 2.79 -8.24 35.50% CHEMBL3337731
PTGES_HUMAN prostaglandin E synthase -7.48 N/A N/A 44.69% CHEMBL2336518
SC6A4_HUMAN solute carrier family 6 member 4 -9.95 -10.12 -9.81 47.37% CHEMBL941
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.62 N/A N/A 51.55% CHEMBL3983452
TLR4_HUMAN toll like receptor 4 -8.00 -8.12 -8.54 27.67% CHEMBL1824677
TNFA_HUMAN tumor necrosis factor -8.38 N/A N/A 33.33% CHEMBL110421
TRBM_HUMAN thrombomodulin -8.23 -7.98 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -8.75 -7.49 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -9.63 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.90 N/A N/A 49.44% CHEMBL227364
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.19 -8.26 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.46 -7.60 N/A 32.00% CHEMBL3696471
TRXR1_HUMAN thioredoxin reductase 1 -9.33 -10.17 -7.12 N/A N/A
TRY1_HUMAN serine protease 1 -6.83 N/A N/A 37.58% CHEMBL104505