Test #476 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 -7.74 -7.69 -7.48 40.54% CHEMBL350277
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.65 -7.75 N/A 52.56% CHEMBL862
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.16 -6.86 -7.04 45.76% CHEMBL471839
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.18 -7.93 N/A 52.56% CHEMBL862
AA1R_HUMAN adenosine A1 receptor -7.54 -6.87 -8.51 32.17% CHEMBL2435536
AA2AR_HUMAN adenosine A2a receptor -7.69 -7.75 -7.94 30.77% CHEMBL184517
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -8.18 -8.06 -8.55 51.14% CHEMBL3785391
ACE_HUMAN angiotensin I converting enzyme -7.44 -7.34 -6.49 50.00% CHEMBL273142
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -7.12 N/A N/A 25.73% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.48 -6.20 -7.02 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.23 -4.74 N/A 53.16% CHEMBL2164913
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.18 -8.57 N/A 45.98% CHEMBL2112959
ADRB2_HUMAN adrenoceptor beta 2 -7.51 -8.20 -7.60 50.60% CHEMBL1332942
AGTR2_HUMAN angiotensin II receptor type 2 -7.04 -6.82 -6.87 37.10% CHEMBL3350599
ALDR_HUMAN aldo-keto reductase family 1 member B -7.65 -7.59 -7.16 40.87% CHEMBL278584
AMPN_HUMAN alanyl aminopeptidase, membrane -6.75 -7.01 -6.65 46.15% CHEMBL1668623
AOFA_HUMAN monoamine oxidase A -7.90 -8.10 -8.25 50.00% CHEMBL3330339
AOFB_HUMAN monoamine oxidase B -8.22 -8.80 -8.57 50.00% CHEMBL299655
BACE1_HUMAN beta-secretase 1 -6.29 -6.50 -6.97 52.75% CHEMBL3354254
CAH2_HUMAN carbonic anhydrase 2 -6.87 -7.07 -6.36 51.14% CHEMBL3785391
CASP1_HUMAN caspase 1 -6.58 -6.30 -5.58 42.86% CHEMBL466565
CDK5_HUMAN cyclin dependent kinase 5 -6.71 -7.64 -7.06 36.13% CHEMBL1998121
CHLE_HUMAN butyrylcholinesterase -7.32 -7.63 -7.90 42.11% CHEMBL4077192
CNR1_HUMAN cannabinoid receptor 1 -7.26 -7.29 -7.91 61.84% CHEMBL2179762
CNR2_HUMAN cannabinoid receptor 2 -7.95 -7.63 N/A 61.84% CHEMBL2179762
COLI_HUMAN proopiomelanocortin -7.12 -7.11 -6.14 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.23 -5.58 -4.96 24.81% CHEMBL3425731
CRP_HUMAN C-reactive protein -5.55 -5.64 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -8.25 N/A N/A 45.00% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.13 -6.74 -7.78 45.05% CHEMBL1949884
DRD2_HUMAN dopamine receptor D2 -8.43 N/A N/A 47.13% CHEMBL220189
DRD3_HUMAN dopamine receptor D3 -6.98 N/A N/A 56.00% CHEMBL1765637
DRD4_HUMAN dopamine receptor D4 -6.85 -6.96 N/A 47.87% CHEMBL1627
EDN1_HUMAN endothelin 1 -6.46 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.42 -7.28 -7.35 40.28% CHEMBL135649
FABP5_HUMAN fatty acid binding protein 5 -6.92 -5.24 -5.25 27.59% CHEMBL4278244
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.43 N/A N/A 36.13% CHEMBL1998121
GLRA3_HUMAN glycine receptor alpha 3 -7.96 -7.58 -7.30 21.58% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -8.33 N/A N/A 21.58% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -8.26 -6.91 -6.81 42.71% CHEMBL4447269
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.05 -5.76 -6.11 29.11% CHEMBL3698263
HRH1_HUMAN histamine receptor H1 -8.40 N/A N/A 47.87% CHEMBL1627
HYES_HUMAN epoxide hydrolase 2 -7.70 -7.75 -7.60 63.24% CHEMBL193888
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -6.10 N/A N/A 34.35% CHEMBL3823257
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.84 -6.77 N/A 89.23% CHEMBL40
MIF_HUMAN macrophage migration inhibitory factor -6.14 -6.73 -5.79 25.98% CHEMBL209588
MK01_HUMAN mitogen-activated protein kinase 1 -6.45 -6.57 -6.23 36.13% CHEMBL1998121
MK03_HUMAN mitogen-activated protein kinase 3 -7.45 -6.70 -6.78 35.40% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -7.98 -7.96 -7.72 29.07% CHEMBL4100500
NEP_HUMAN membrane metalloendopeptidase -6.79 -7.89 -8.22 53.12% CHEMBL257416
NK1R_HUMAN tachykinin receptor 1 -7.57 -7.85 -7.00 48.62% CHEMBL392567
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.26 -7.82 -8.62 31.31% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.75 -7.46 -5.83 43.59% CHEMBL3357786
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.28 -7.82 -8.62 25.60% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -7.29 -6.86 -7.11 40.00% CHEMBL298404
NOS2_HUMAN nitric oxide synthase 2 -7.22 -7.14 -7.41 36.36% CHEMBL450583
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -7.59 -7.47 -7.47 29.46% CHEMBL4521353
OPRD_HUMAN opioid receptor delta 1 -7.04 -6.74 -6.10 47.87% CHEMBL1707
OPRK_HUMAN opioid receptor kappa 1 -7.61 -7.46 -7.45 53.75% CHEMBL146918
OPRM_MOUSE Mu-type opioid receptor -8.36 -6.98 N/A 43.18% CHEMBL596
OPRX_HUMAN opioid related nociceptin receptor 1 -6.87 -7.03 -6.99 56.58% CHEMBL271322
P2RX3_HUMAN purinergic receptor P2X 3 -5.29 -5.06 -5.13 33.09% CHEMBL3898435
P2Y12_HUMAN purinergic receptor P2Y12 -6.62 -6.52 -7.98 30.95% CHEMBL88708
PAR1_HUMAN coagulation factor II thrombin receptor -6.17 N/A N/A 50.00% CHEMBL3658409
PDE4B_HUMAN phosphodiesterase 4B -7.10 -7.91 -8.19 42.45% CHEMBL37119
PDE5A_HUMAN phosphodiesterase 5A -6.80 -7.59 -7.78 27.78% CHEMBL336457
PERM_HUMAN myeloperoxidase -6.89 -7.22 -7.15 37.50% CHEMBL2347028
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.26 -7.62 -7.27 43.06% CHEMBL1945285
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.65 -5.67 -7.46 43.06% CHEMBL1945285
PPAP_HUMAN acid phosphatase 3 -6.83 -7.00 N/A 22.77% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -6.06 -6.95 -6.69 36.59% CHEMBL340011
PRGR_HUMAN progesterone receptor -7.64 -7.43 -7.50 38.94% CHEMBL117207
PTGES_HUMAN prostaglandin E synthase -6.28 N/A N/A 35.16% CHEMBL4462346
SC6A4_HUMAN solute carrier family 6 member 4 -7.33 -7.53 -7.77 55.84% CHEMBL252923
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.30 N/A N/A 40.70% CHEMBL4288200
TLR4_HUMAN toll like receptor 4 -6.82 -7.86 -6.78 35.04% CHEMBL4173765
TNFA_HUMAN tumor necrosis factor -7.28 -6.76 -5.78 41.12% CHEMBL306090
TRBM_HUMAN thrombomodulin -6.52 -6.88 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.37 -6.90 N/A 19.08% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -7.13 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.90 N/A N/A 44.68% CHEMBL2057857
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.75 -7.63 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.33 -6.89 N/A 24.67% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -6.44 -7.37 -6.06 27.82% CHEMBL4459518
TRY1_HUMAN serine protease 1 -5.73 N/A N/A 45.83% CHEMBL327113