Samo's testing 2 #208 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 -8.53 -8.57 -8.98 38.51% CHEMBL190298
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.43 -8.85 N/A 34.19% CHEMBL343529
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.49 -8.78 -8.76 33.70% CHEMBL357995
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.61 -8.33 N/A 32.97% CHEMBL3589583
AA1R_HUMAN adenosine A1 receptor -7.69 -7.91 -8.26 38.16% CHEMBL125979
AA2AR_HUMAN adenosine A2a receptor -7.86 -7.78 -8.43 38.16% CHEMBL125979
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.48 -8.83 -9.58 35.53% CHEMBL374729
ACE_HUMAN angiotensin I converting enzyme -8.51 -8.76 -7.09 34.00% CHEMBL3414814
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.73 N/A N/A 19.83% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -7.06 -7.77 -5.98 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.94 -3.50 N/A 34.74% CHEMBL1935444
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.78 -8.27 N/A 31.58% CHEMBL59939
ADRB2_HUMAN adrenoceptor beta 2 -8.51 -8.67 -9.32 39.53% CHEMBL1517798
AGTR2_HUMAN angiotensin II receptor type 2 -8.16 -8.80 -7.80 29.82% CHEMBL2435831
ALDR_HUMAN aldo-keto reductase family 1 member B -8.67 -8.65 -9.49 29.32% CHEMBL1917444
AMPN_HUMAN alanyl aminopeptidase, membrane -8.56 -9.06 -7.90 23.05% CHEMBL1077591
AOFA_HUMAN monoamine oxidase A -8.80 -9.36 -9.35 38.16% CHEMBL1645554
AOFB_HUMAN monoamine oxidase B -9.38 -9.39 -9.31 34.59% CHEMBL1645548
BACE1_HUMAN beta-secretase 1 -7.11 -7.19 -7.93 39.49% CHEMBL1923701
CAH2_HUMAN carbonic anhydrase 2 -7.24 -7.81 -7.60 33.48% CHEMBL3337911
CASP1_HUMAN caspase 1 -6.62 -7.18 -6.55 26.51% CHEMBL1221690
CDK5_HUMAN cyclin dependent kinase 5 -7.77 -8.00 -8.29 37.50% CHEMBL2001149
CHLE_HUMAN butyrylcholinesterase -9.02 -8.58 -8.81 31.86% CHEMBL4063321
CNR1_HUMAN cannabinoid receptor 1 -7.90 -8.85 -8.92 39.59% CHEMBL3353833
CNR2_HUMAN cannabinoid receptor 2 -8.79 -8.83 N/A 40.64% CHEMBL3353802
COLI_HUMAN proopiomelanocortin -8.63 -8.57 -7.96 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.41 -5.87 -6.33 36.65% CHEMBL3425721
CRP_HUMAN C-reactive protein -5.71 -5.65 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.36 N/A N/A 36.84% CHEMBL3426944
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.45 -6.98 -7.69 33.50% CHEMBL1644072
DRD2_HUMAN dopamine receptor D2 -8.31 N/A N/A 37.99% CHEMBL324619
DRD3_HUMAN dopamine receptor D3 -8.54 N/A N/A 65.41% CHEMBL1219
DRD4_HUMAN dopamine receptor D4 -8.96 -9.33 N/A 35.76% CHEMBL327782
EDN1_HUMAN endothelin 1 -8.38 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.50 -7.51 -6.95 33.51% CHEMBL1254532
FABP5_HUMAN fatty acid binding protein 5 -8.12 -6.02 -5.77 25.31% CHEMBL247920
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.29 N/A N/A 38.17% CHEMBL3632717
GLRA3_HUMAN glycine receptor alpha 3 -8.64 -7.72 -8.51 20.97% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.43 N/A N/A 20.97% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -9.00 -8.93 -8.71 42.86% CHEMBL4060880
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.47 -7.98 -8.36 28.50% CHEMBL3425948
HRH1_HUMAN histamine receptor H1 -8.51 N/A N/A 38.54% CHEMBL1935448
HYES_HUMAN epoxide hydrolase 2 -7.89 -8.29 -7.66 32.38% CHEMBL550648
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.11 N/A N/A 35.03% CHEMBL482769
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.91 -7.57 N/A 33.33% CHEMBL343002
MIF_HUMAN macrophage migration inhibitory factor -7.00 -6.76 -6.67 30.48% CHEMBL3924400
MK01_HUMAN mitogen-activated protein kinase 1 -7.74 -7.55 -7.32 30.38% CHEMBL4110942
MK03_HUMAN mitogen-activated protein kinase 3 -8.41 -8.54 -8.11 29.08% CHEMBL1336
MTOR_HUMAN mechanistic target of rapamycin kinase -8.15 -8.11 -8.14 34.15% CHEMBL2030445
NEP_HUMAN membrane metalloendopeptidase -8.03 -7.43 -8.31 26.34% CHEMBL305388
NK1R_HUMAN tachykinin receptor 1 -8.09 -8.50 -7.37 29.49% CHEMBL43970
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.91 -8.39 -9.15 16.42% CHEMBL2333945
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -8.97 -9.36 -8.30 38.65% CHEMBL2013202
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.21 -8.49 -9.15 29.57% CHEMBL162577
NOS1_HUMAN nitric oxide synthase 1 -8.15 -8.01 -8.65 46.62% CHEMBL1800523
NOS2_HUMAN nitric oxide synthase 2 -7.69 -8.19 -7.78 60.00% CHEMBL1800348
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.00 -8.47 -8.32 32.88% CHEMBL3666424
OPRD_HUMAN opioid receptor delta 1 -7.10 -6.40 -6.84 31.10% CHEMBL420863
OPRK_HUMAN opioid receptor kappa 1 -8.77 -8.26 -8.32 34.23% CHEMBL1703196
OPRM_MOUSE Mu-type opioid receptor -8.00 -7.78 N/A 30.41% CHEMBL2147918
OPRX_HUMAN opioid related nociceptin receptor 1 -7.21 -7.26 -7.45 39.78% CHEMBL407068
P2RX3_HUMAN purinergic receptor P2X 3 -5.88 -5.82 -6.22 30.05% CHEMBL3091607
P2Y12_HUMAN purinergic receptor P2Y12 -8.63 -8.94 -9.34 30.61% CHEMBL2419492
PAR1_HUMAN coagulation factor II thrombin receptor -9.83 N/A N/A 29.74% CHEMBL207791
PDE4B_HUMAN phosphodiesterase 4B -8.21 -8.84 -8.62 35.88% CHEMBL1224653
PDE5A_HUMAN phosphodiesterase 5A -7.72 -8.34 -8.07 34.73% CHEMBL43795
PERM_HUMAN myeloperoxidase -8.19 -7.97 -7.41 32.53% CHEMBL581893
PGH1_SHEEP Prostaglandin G/H synthase 1 -8.01 -8.64 -8.81 33.33% CHEMBL438316
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -4.98 -6.02 -7.45 32.18% CHEMBL1950010
PPAP_HUMAN acid phosphatase 3 -7.62 N/A N/A 17.03% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.84 -8.58 -8.44 35.81% CHEMBL461944
PRGR_HUMAN progesterone receptor -6.88 -7.08 -8.09 32.52% CHEMBL3605924
PTGES_HUMAN prostaglandin E synthase -7.72 N/A N/A 34.38% CHEMBL3342708
SC6A4_HUMAN solute carrier family 6 member 4 -8.58 -8.58 -8.69 38.41% CHEMBL440584
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.95 N/A N/A 32.93% CHEMBL1313991
TLR4_HUMAN toll like receptor 4 -7.42 -7.29 -7.37 29.20% CHEMBL4068003
TNFA_HUMAN tumor necrosis factor -7.51 N/A N/A 31.16% CHEMBL3972551
TRBM_HUMAN thrombomodulin -8.29 -7.62 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.66 -8.08 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.36 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.27 N/A N/A 31.75% CHEMBL199393
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -7.09 -7.93 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -6.78 -7.36 N/A 27.70% CHEMBL3902585
TRXR1_HUMAN thioredoxin reductase 1 -7.40 -8.68 -6.35 N/A N/A
TRY1_HUMAN serine protease 1 -6.77 N/A N/A 37.89% CHEMBL24907