test #107 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 -6.54 -6.51 -6.38 14.74% CHEMBL70409
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -5.87 -5.97 N/A 27.47% CHEMBL64894
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.24 -5.80 -6.27 17.39% CHEMBL547
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -6.04 -6.46 N/A 16.67% CHEMBL218592
AA1R_HUMAN adenosine A1 receptor -5.84 -5.60 -6.14 14.93% CHEMBL3314905
AA2AR_HUMAN adenosine A2a receptor -5.82 -5.90 -5.93 14.93% CHEMBL3314905
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.18 -6.01 -6.82 40.48% CHEMBL8320
ACE_HUMAN angiotensin I converting enzyme -6.22 -5.60 -5.34 13.04% CHEMBL306556
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.01 N/A N/A 5.88% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.59 -6.01 -6.51 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.40 -6.67 N/A 27.47% CHEMBL64894
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.52 -6.15 N/A 27.47% CHEMBL64894
ADRB2_HUMAN adrenoceptor beta 2 -6.45 -6.69 -6.83 11.61% CHEMBL1325241
AGTR2_HUMAN angiotensin II receptor type 2 -5.84 -5.94 -5.61 13.69% CHEMBL39352
ALDR_HUMAN aldo-keto reductase family 1 member B -6.86 -6.55 -6.99 15.27% CHEMBL3917477
AMPN_HUMAN alanyl aminopeptidase, membrane -5.77 -6.41 -5.30 10.39% CHEMBL1782887
AOFA_HUMAN monoamine oxidase A -6.33 -6.05 -6.71 18.67% CHEMBL55934
AOFB_HUMAN monoamine oxidase B -6.50 -6.32 -6.66 18.67% CHEMBL55934
BACE1_HUMAN beta-secretase 1 -5.88 -5.26 -5.52 19.12% CHEMBL3586197
CAH2_HUMAN carbonic anhydrase 2 -6.11 -6.14 -6.00 19.15% CHEMBL372888
CASP1_HUMAN caspase 1 -4.82 -5.62 -4.82 15.11% CHEMBL1412861
CDK5_HUMAN cyclin dependent kinase 5 -6.00 -6.02 -6.52 11.95% CHEMBL1988692
CHLE_HUMAN butyrylcholinesterase -6.42 -6.09 -6.00 30.51% CHEMBL192627
CNR1_HUMAN cannabinoid receptor 1 -6.40 -6.41 -6.44 22.54% CHEMBL429055
CNR2_HUMAN cannabinoid receptor 2 -6.19 -6.31 N/A 22.37% CHEMBL151167
COLI_HUMAN proopiomelanocortin -5.97 -5.93 -5.13 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -4.70 -4.43 -4.92 9.02% CHEMBL953
CRP_HUMAN C-reactive protein -5.22 -4.95 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.32 N/A N/A 9.29% CHEMBL402076
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.70 -5.07 -5.84 11.61% CHEMBL2029608
DRD2_HUMAN dopamine receptor D2 -6.47 N/A N/A 16.67% CHEMBL132575
DRD3_HUMAN dopamine receptor D3 -6.02 N/A N/A 27.47% CHEMBL64894
DRD4_HUMAN dopamine receptor D4 -6.06 -6.16 N/A 13.51% CHEMBL2112284
EDN1_HUMAN endothelin 1 -5.99 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.61 -5.59 -5.55 17.81% CHEMBL1162
FABP5_HUMAN fatty acid binding protein 5 -5.61 -4.12 -4.28 16.13% CHEMBL8659
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -5.69 N/A N/A 13.25% CHEMBL1097700
GLRA3_HUMAN glycine receptor alpha 3 -5.79 -5.99 -6.09 3.88% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -6.26 N/A N/A 3.88% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -6.59 -7.18 -7.26 18.02% CHEMBL380626
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.55 -5.47 -6.45 12.90% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -7.36 N/A N/A 13.28% CHEMBL1278021
HYES_HUMAN epoxide hydrolase 2 -6.20 -5.65 -6.12 19.81% CHEMBL559451
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.01 N/A N/A 21.18% CHEMBL1762621
MDR1_HUMAN ATP binding cassette subfamily B member 1 -5.84 -5.90 N/A 23.61% CHEMBL635
MIF_HUMAN macrophage migration inhibitory factor -7.59 -7.03 -6.07 16.33% CHEMBL233248
MK01_HUMAN mitogen-activated protein kinase 1 -5.78 -5.60 -5.44 17.39% CHEMBL547
MK03_HUMAN mitogen-activated protein kinase 3 -5.51 -5.78 -5.31 11.34% CHEMBL3577631
MTOR_HUMAN mechanistic target of rapamycin kinase -5.94 -5.95 -6.05 14.71% CHEMBL169
NEP_HUMAN membrane metalloendopeptidase -6.07 -6.65 -6.48 11.32% CHEMBL81232
NK1R_HUMAN tachykinin receptor 1 -5.91 -5.91 -5.57 14.18% CHEMBL195222
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.33 -6.23 -6.43 7.62% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -6.57 -6.75 -6.57 21.05% CHEMBL158737
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.36 -6.21 -6.43 5.96% CHEMBL163916
NOS1_HUMAN nitric oxide synthase 1 -7.04 -7.02 -6.09 24.53% CHEMBL183012
NOS2_HUMAN nitric oxide synthase 2 -6.62 -6.03 -6.74 37.10% CHEMBL308310
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -5.95 -6.46 -5.95 14.75% CHEMBL1978371
OPRD_HUMAN opioid receptor delta 1 -5.58 -4.76 -4.98 15.06% CHEMBL1907788
OPRK_HUMAN opioid receptor kappa 1 -5.87 -5.78 -6.56 27.47% CHEMBL64894
OPRM_MOUSE Mu-type opioid receptor -6.35 -5.44 N/A 12.59% CHEMBL2017152
OPRX_HUMAN opioid related nociceptin receptor 1 -5.23 -5.14 -5.50 11.92% CHEMBL466679
P2RX3_HUMAN purinergic receptor P2X 3 -4.53 -4.44 -4.92 11.62% CHEMBL4111666
P2Y12_HUMAN purinergic receptor P2Y12 -6.86 -6.48 -6.59 11.57% CHEMBL509456
PAR1_HUMAN coagulation factor II thrombin receptor -6.17 N/A N/A 11.46% CHEMBL3143268
PDE4B_HUMAN phosphodiesterase 4B -5.84 -6.46 -6.58 11.11% CHEMBL3315267
PDE5A_HUMAN phosphodiesterase 5A -6.33 -6.15 -5.82 9.39% CHEMBL484065
PERM_HUMAN myeloperoxidase -6.03 -6.13 -5.89 10.53% CHEMBL86
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.14 -6.20 -7.12 14.38% CHEMBL15904
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -6.02 -5.98 -6.30 17.02% CHEMBL512400
PPAP_HUMAN acid phosphatase 3 -5.52 N/A N/A 5.94% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -5.51 -5.84 -5.54 21.05% CHEMBL2382279
PRGR_HUMAN progesterone receptor -5.96 -6.12 -5.98 21.67% CHEMBL103
PTGES_HUMAN prostaglandin E synthase -5.37 N/A N/A 17.44% CHEMBL3770548
SC6A4_HUMAN solute carrier family 6 member 4 -6.21 -6.45 -5.99 17.81% CHEMBL2107797
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -6.39 N/A N/A 11.18% CHEMBL565327
TLR4_HUMAN toll like receptor 4 -5.72 -5.26 -5.74 10.14% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -5.43 N/A N/A 10.05% CHEMBL3642449
TRBM_HUMAN thrombomodulin -5.71 -5.29 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.05 -5.31 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -5.82 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.69 N/A N/A 21.05% CHEMBL15848
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.33 -5.83 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -4.84 -5.47 N/A 8.60% CHEMBL73188
TRXR1_HUMAN thioredoxin reductase 1 -6.70 -6.26 -4.68 N/A N/A
TRY1_HUMAN serine protease 1 -5.28 N/A N/A 13.41% CHEMBL318001