Beta001 #203 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 -8.45 -8.77 -8.17 57.66% CHEMBL71091
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.08 -8.15 N/A 51.13% CHEMBL3912721
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.90 -8.67 -8.49 51.13% CHEMBL3912721
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.02 -8.55 N/A 55.56% CHEMBL3978882
AA1R_HUMAN adenosine A1 receptor -7.94 -7.90 -8.48 44.44% CHEMBL441806
AA2AR_HUMAN adenosine A2a receptor -8.32 -7.72 -8.49 40.78% CHEMBL554840
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.65 -9.04 -9.57 50.69% CHEMBL490660
ACE_HUMAN angiotensin I converting enzyme -8.07 -8.19 -6.81 45.22% CHEMBL419649
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.67 N/A N/A 27.14% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.34 -6.93 -6.57 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.73 -5.32 N/A 51.05% CHEMBL302145
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.72 -8.44 N/A 45.27% CHEMBL1223805
ADRB2_HUMAN adrenoceptor beta 2 -7.84 -9.19 -9.02 56.95% CHEMBL2088197
AGTR2_HUMAN angiotensin II receptor type 2 -8.61 -8.80 -8.46 38.27% CHEMBL2435828
ALDR_HUMAN aldo-keto reductase family 1 member B -8.90 -8.24 -8.62 32.74% CHEMBL240719
AMPN_HUMAN alanyl aminopeptidase, membrane -7.85 -7.92 -7.72 38.33% CHEMBL1668623
AOFA_HUMAN monoamine oxidase A -9.24 -9.31 -9.07 47.09% CHEMBL2333936
AOFB_HUMAN monoamine oxidase B -9.01 -9.43 -9.38 47.09% CHEMBL2333936
BACE1_HUMAN beta-secretase 1 -6.81 -7.19 -7.74 45.81% CHEMBL3979923
CAH2_HUMAN carbonic anhydrase 2 -7.16 -7.67 -7.87 41.86% CHEMBL4068479
CASP1_HUMAN caspase 1 -6.02 -6.87 -6.45 36.51% CHEMBL114791
CDK5_HUMAN cyclin dependent kinase 5 -8.08 -8.61 -8.43 37.89% CHEMBL1992125
CHLE_HUMAN butyrylcholinesterase -8.69 -8.49 -8.91 50.69% CHEMBL490660
CNR1_HUMAN cannabinoid receptor 1 -8.43 -8.94 -9.61 41.05% CHEMBL2029735
CNR2_HUMAN cannabinoid receptor 2 -8.65 -8.79 N/A 48.59% CHEMBL2338174
COLI_HUMAN proopiomelanocortin -7.69 -7.55 -6.86 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -6.86 -6.45 -6.82 33.15% CHEMBL3425740
CRP_HUMAN C-reactive protein -6.08 -6.11 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.52 N/A N/A 29.90% CHEMBL462024
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.68 -6.92 -6.88 38.29% CHEMBL1644075
DRD2_HUMAN dopamine receptor D2 -8.67 N/A N/A 53.38% CHEMBL252343
DRD3_HUMAN dopamine receptor D3 -8.33 N/A N/A 53.38% CHEMBL252343
DRD4_HUMAN dopamine receptor D4 -8.53 -8.63 N/A 46.09% CHEMBL589
EDN1_HUMAN endothelin 1 -7.38 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.65 -7.91 -7.96 43.97% CHEMBL3735995
FABP5_HUMAN fatty acid binding protein 5 -7.70 -4.99 -5.73 33.16% CHEMBL3971182
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.11 N/A N/A 37.89% CHEMBL1992125
GLRA3_HUMAN glycine receptor alpha 3 -8.30 -8.54 -8.58 27.12% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.74 N/A N/A 27.12% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -9.14 -8.68 -7.91 39.69% CHEMBL1289626
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.83 -7.04 -7.46 32.37% CHEMBL3425953
HRH1_HUMAN histamine receptor H1 -8.44 N/A N/A 46.05% CHEMBL328356
HYES_HUMAN epoxide hydrolase 2 -7.88 -8.80 -7.82 41.13% CHEMBL471224
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.17 N/A N/A 50.00% CHEMBL3823257
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.18 -7.64 N/A 45.51% CHEMBL2074767
MIF_HUMAN macrophage migration inhibitory factor -7.76 -8.10 -6.82 24.54% CHEMBL1604170
MK01_HUMAN mitogen-activated protein kinase 1 -7.86 -7.49 -7.28 35.44% CHEMBL1998121
MK03_HUMAN mitogen-activated protein kinase 3 -8.07 -8.28 -7.19 28.12% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -8.32 -8.66 -8.29 39.15% CHEMBL1774362
NEP_HUMAN membrane metalloendopeptidase -7.73 -6.80 -8.22 41.08% CHEMBL316595
NK1R_HUMAN tachykinin receptor 1 -7.88 -8.34 -7.63 50.78% CHEMBL121480
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -8.41 -8.37 -8.69 26.39% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.09 -9.63 -9.04 43.20% CHEMBL3357789
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -8.84 -8.88 -8.69 29.81% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -8.30 -8.27 -8.79 37.50% CHEMBL1230380
NOS2_HUMAN nitric oxide synthase 2 -7.33 -8.88 -8.48 36.43% CHEMBL49881
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -9.15 -9.29 -9.33 42.29% CHEMBL3962283
OPRD_HUMAN opioid receptor delta 1 -7.41 -6.64 -6.81 56.00% CHEMBL56165
OPRK_HUMAN opioid receptor kappa 1 -8.66 -9.02 -8.35 54.07% CHEMBL201220
OPRM_MOUSE Mu-type opioid receptor -8.46 -7.70 N/A 45.00% CHEMBL2017148
OPRX_HUMAN opioid related nociceptin receptor 1 -7.61 -7.79 -7.91 50.70% CHEMBL3262547
P2RX3_HUMAN purinergic receptor P2X 3 -5.51 -5.83 -5.72 40.66% CHEMBL3674868
P2Y12_HUMAN purinergic receptor P2Y12 -9.10 -7.87 -8.23 34.78% CHEMBL88708
PAR1_HUMAN coagulation factor II thrombin receptor -8.60 N/A N/A 41.61% CHEMBL3658403
PDE4B_HUMAN phosphodiesterase 4B -7.79 -8.37 -8.45 38.69% CHEMBL535714
PDE5A_HUMAN phosphodiesterase 5A -7.66 -8.94 -7.65 36.48% CHEMBL544818
PERM_HUMAN myeloperoxidase -7.97 -8.00 -7.70 31.54% CHEMBL2347027
PGH1_SHEEP Prostaglandin G/H synthase 1 -7.42 -8.81 -8.46 32.28% CHEMBL3774442
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.48 -7.46 -7.97 48.82% CHEMBL15039
PPAP_HUMAN acid phosphatase 3 -7.67 N/A N/A 15.85% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.77 -7.98 -8.18 49.35% CHEMBL146369
PRGR_HUMAN progesterone receptor -8.97 -8.47 -8.42 51.70% CHEMBL197161
PTGES_HUMAN prostaglandin E synthase -6.77 N/A N/A 42.77% CHEMBL4092750
SC6A4_HUMAN solute carrier family 6 member 4 -8.46 -8.30 -8.53 49.26% CHEMBL486045
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.89 N/A N/A 40.33% CHEMBL400468
TLR4_HUMAN toll like receptor 4 -7.56 -7.04 -6.90 32.39% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -7.46 N/A N/A 33.99% CHEMBL1569174
TRBM_HUMAN thrombomodulin -7.64 -7.38 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -7.15 -6.96 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.73 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -8.46 N/A N/A 38.89% CHEMBL3912668
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -8.11 -7.79 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.19 -6.64 N/A 34.50% CHEMBL3696385
TRXR1_HUMAN thioredoxin reductase 1 -7.44 -7.27 -6.69 N/A N/A
TRY1_HUMAN serine protease 1 -5.90 N/A N/A 40.91% CHEMBL109535