St5-32 #388 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 -11.20 -10.83 -10.16 42.86% CHEMBL1242623
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.81 -11.36 N/A 43.97% CHEMBL3695395
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.22 -11.29 -10.23 48.92% CHEMBL15245
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -11.29 -10.60 N/A 43.38% CHEMBL56508
AA1R_HUMAN adenosine A1 receptor -10.01 -10.62 -6.14 42.47% CHEMBL371131
AA2AR_HUMAN adenosine A2a receptor -8.66 -9.58 -7.34 46.90% CHEMBL3929822
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.78 -10.41 -9.37 49.02% CHEMBL4213591
ACE_HUMAN angiotensin I converting enzyme -10.85 -10.01 5.33 43.57% CHEMBL148616
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.70 N/A N/A 29.56% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit 7.39 2.86 -3.17 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -10.62 ? N/A ? ?
ACM4_HUMAN cholinergic receptor muscarinic 4 -10.78 -8.18 N/A 46.10% CHEMBL105160
ADRB2_HUMAN adrenoceptor beta 2 -10.27 -10.42 -11.94 47.19% CHEMBL2012522
AGTR2_HUMAN angiotensin II receptor type 2 -9.86 -10.35 -9.68 41.22% CHEMBL424004
ALDR_HUMAN aldo-keto reductase family 1 member B -9.55 -10.30 -10.77 51.17% CHEMBL294612
AMPN_HUMAN alanyl aminopeptidase, membrane -9.79 -9.66 -10.04 45.49% CHEMBL1077585
AOFA_HUMAN monoamine oxidase A -10.25 -11.22 -9.33 45.08% CHEMBL2333930
AOFB_HUMAN monoamine oxidase B -10.22 -10.46 -10.41 45.08% CHEMBL2333930
BACE1_HUMAN beta-secretase 1 -7.78 -8.81 -9.09 55.46% CHEMBL2177318
CAH2_HUMAN carbonic anhydrase 2 -8.06 -9.49 -8.39 43.56% CHEMBL88173
CASP1_HUMAN caspase 1 -7.23 -8.93 -8.09 40.52% CHEMBL1221746
CDK5_HUMAN cyclin dependent kinase 5 -8.37 -8.03 -8.60 49.33% CHEMBL2003524
CHLE_HUMAN butyrylcholinesterase -10.61 -10.61 -10.61 47.78% CHEMBL3215768
CNR1_HUMAN cannabinoid receptor 1 -10.06 -10.39 -8.03 53.42% CHEMBL3972369
CNR2_HUMAN cannabinoid receptor 2 -9.40 -12.08 N/A 55.35% CHEMBL1765268
COLI_HUMAN proopiomelanocortin -10.81 -8.35 -9.31 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.82 -6.73 -6.34 34.27% CHEMBL3425740
CRP_HUMAN C-reactive protein -7.12 -6.46 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 3.83 N/A N/A 35.37% CHEMBL3609013
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -10.72 -8.57 -8.84 47.18% CHEMBL565749
DRD2_HUMAN dopamine receptor D2 -9.09 N/A N/A 48.92% CHEMBL15245
DRD3_HUMAN dopamine receptor D3 -10.65 N/A N/A 43.97% CHEMBL3695395
DRD4_HUMAN dopamine receptor D4 -9.84 -10.09 N/A 42.86% CHEMBL219340
EDN1_HUMAN endothelin 1 -9.61 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.82 -9.84 -9.14 44.34% CHEMBL3925390
FABP5_HUMAN fatty acid binding protein 5 -9.21 -7.13 -6.98 33.95% CHEMBL4278244
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.98 N/A N/A 36.03% CHEMBL1973363
GLRA3_HUMAN glycine receptor alpha 3 -8.91 -9.13 -8.90 30.20% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -10.17 N/A N/A 30.20% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -8.92 2.11 0.97 53.28% CHEMBL3298273
HPGDS_HUMAN hematopoietic prostaglandin D synthase -9.03 -8.24 -8.63 43.38% CHEMBL3425959
HRH1_HUMAN histamine receptor H1 -7.23 N/A N/A 47.42% CHEMBL418658
HYES_HUMAN epoxide hydrolase 2 -11.25 -11.17 -9.71 50.96% CHEMBL565628
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.46 N/A N/A 38.97% CHEMBL1923974
MDR1_HUMAN ATP binding cassette subfamily B member 1 -10.14 -10.11 N/A 48.16% CHEMBL772
MIF_HUMAN macrophage migration inhibitory factor -4.90 -7.89 -7.56 32.09% CHEMBL4208992
MK01_HUMAN mitogen-activated protein kinase 1 -8.72 -8.85 -8.93 45.90% CHEMBL3422092
MK03_HUMAN mitogen-activated protein kinase 3 -9.07 -9.59 -9.49 42.62% CHEMBL4537788
MTOR_HUMAN mechanistic target of rapamycin kinase -10.99 -11.14 -10.47 42.12% CHEMBL590357
NEP_HUMAN membrane metalloendopeptidase -9.54 -9.91 -10.92 40.59% CHEMBL4534876
NK1R_HUMAN tachykinin receptor 1 -9.53 -9.99 -10.07 45.39% CHEMBL250974
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -10.45 -9.63 -9.44 25.00% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -10.25 -10.03 -9.17 37.93% CHEMBL1779013
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -10.51 -9.49 -9.44 41.25% CHEMBL162577
NOS1_HUMAN nitric oxide synthase 1 -9.18 -9.44 -10.43 36.20% CHEMBL1221659
NOS2_HUMAN nitric oxide synthase 2 -2.33 -9.02 16.97 38.60% CHEMBL1911986
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -10.21 -10.49 -11.27 49.33% CHEMBL2003524
OPRD_HUMAN opioid receptor delta 1 -8.64 -7.39 -8.38 49.28% CHEMBL238283
OPRK_HUMAN opioid receptor kappa 1 -11.37 -10.94 -9.80 48.52% CHEMBL3086752
OPRM_MOUSE Mu-type opioid receptor -9.50 -10.03 N/A 48.25% CHEMBL299031
OPRX_HUMAN opioid related nociceptin receptor 1 -9.77 -8.65 -9.50 48.93% CHEMBL3349258
P2RX3_HUMAN purinergic receptor P2X 3 -6.56 -5.99 -6.30 45.99% CHEMBL3679825
P2Y12_HUMAN purinergic receptor P2Y12 -9.11 -3.53 -6.07 42.21% CHEMBL3652613
PAR1_HUMAN coagulation factor II thrombin receptor -9.47 N/A N/A 41.84% CHEMBL286837
PDE4B_HUMAN phosphodiesterase 4B -10.32 -9.46 -10.62 46.67% CHEMBL290191
PDE5A_HUMAN phosphodiesterase 5A -9.20 -9.66 -9.37 50.64% CHEMBL4084966
PERM_HUMAN myeloperoxidase -9.33 -9.64 -9.23 28.38% CHEMBL278555
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.51 -4.51 -7.00 41.84% CHEMBL4456822
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 9.37 -4.70 -8.22 44.09% CHEMBL4161755
PPAP_HUMAN acid phosphatase 3 -8.64 -7.70 N/A 22.47% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -10.20 -9.71 -10.30 48.02% CHEMBL235143
PRGR_HUMAN progesterone receptor 3.19 4.19 -6.57 42.02% CHEMBL3622997
PTGES_HUMAN prostaglandin E synthase -8.52 N/A N/A 41.80% CHEMBL181236
SC6A4_HUMAN solute carrier family 6 member 4 -10.39 -10.96 -11.18 46.06% CHEMBL247669
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.97 N/A N/A 55.13% CHEMBL2164396
TLR4_HUMAN toll like receptor 4 -9.18 -10.27 -9.85 35.47% CHEMBL4462366
TNFA_HUMAN tumor necrosis factor -8.67 -8.77 -6.27 40.35% CHEMBL110421
TRBM_HUMAN thrombomodulin -8.32 -7.62 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -9.57 -7.73 N/A 24.89% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -10.71 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.93 N/A N/A 44.81% CHEMBL438345
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -9.03 -8.82 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.10 -7.42 N/A 46.41% CHEMBL3696387
TRXR1_HUMAN thioredoxin reductase 1 -9.52 -8.92 -7.09 24.50% CHEMBL4459518
TRY1_HUMAN serine protease 1 -7.75 N/A N/A 47.68% CHEMBL3973384