asco #274 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 -5.62 -5.63 -5.75 17.45% CHEMBL107772
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -5.18 -5.23 N/A 24.27% CHEMBL1909065
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -5.81 -5.62 -5.67 24.27% CHEMBL1909065
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -5.47 -5.27 N/A 24.27% CHEMBL1909065
AA1R_HUMAN adenosine A1 receptor -5.08 -4.86 -5.04 19.28% CHEMBL217076
AA2AR_HUMAN adenosine A2a receptor -5.09 -5.15 -4.94 23.68% CHEMBL2042091
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -5.97 -6.11 -6.46 36.29% CHEMBL603622
ACE_HUMAN angiotensin I converting enzyme -5.93 -5.36 -5.24 24.04% CHEMBL80667
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -4.53 N/A N/A 10.34% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -5.11 -6.34 -5.22 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -5.74 -5.54 N/A 28.68% CHEMBL324712
ACM4_HUMAN cholinergic receptor muscarinic 4 -5.35 -5.02 N/A 29.25% CHEMBL128365
ADRB2_HUMAN adrenoceptor beta 2 -5.51 -6.39 -5.95 22.66% CHEMBL1569630
AGTR2_HUMAN angiotensin II receptor type 2 -4.89 -5.00 -5.16 16.67% CHEMBL1668009
ALDR_HUMAN aldo-keto reductase family 1 member B -6.36 -5.90 -6.69 35.96% CHEMBL284616
AMPN_HUMAN alanyl aminopeptidase, membrane -5.71 -6.20 -5.85 18.18% CHEMBL3298946
AOFA_HUMAN monoamine oxidase A -6.28 -6.30 -5.89 25.19% CHEMBL123768
AOFB_HUMAN monoamine oxidase B -5.65 -5.81 -5.72 25.90% CHEMBL4062286
BACE1_HUMAN beta-secretase 1 -5.11 -4.63 -4.82 26.87% CHEMBL4085945
CAH2_HUMAN carbonic anhydrase 2 -6.03 -5.93 -5.45 36.80% CHEMBL3609432
CASP1_HUMAN caspase 1 -5.55 -4.34 -5.37 33.33% CHEMBL400716
CDK5_HUMAN cyclin dependent kinase 5 -5.39 -5.27 -6.11 14.40% CHEMBL1974288
CHLE_HUMAN butyrylcholinesterase -5.90 -5.66 -5.58 31.85% CHEMBL492233
CNR1_HUMAN cannabinoid receptor 1 -5.24 -5.62 -5.36 36.46% CHEMBL1800732
CNR2_HUMAN cannabinoid receptor 2 -5.21 -5.91 N/A 36.46% CHEMBL1800732
COLI_HUMAN proopiomelanocortin -5.91 -5.63 -5.20 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -4.66 -4.53 -5.54 14.14% CHEMBL1089630
CRP_HUMAN C-reactive protein -4.49 -4.97 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.04 N/A N/A 14.90% CHEMBL464012
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -5.28 -5.51 -4.79 22.75% CHEMBL1221944
DRD2_HUMAN dopamine receptor D2 -5.85 N/A N/A 24.27% CHEMBL1909065
DRD3_HUMAN dopamine receptor D3 -5.41 N/A N/A 33.57% CHEMBL1200633
DRD4_HUMAN dopamine receptor D4 -5.50 -5.39 N/A 21.60% CHEMBL2112284
EDN1_HUMAN endothelin 1 -5.00 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.25 -4.99 -5.30 29.06% CHEMBL4089824
FABP5_HUMAN fatty acid binding protein 5 -5.30 -4.44 -4.26 20.99% CHEMBL8659
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -5.13 N/A N/A 23.90% CHEMBL1097700
GLRA3_HUMAN glycine receptor alpha 3 -5.52 -6.16 -6.08 9.83% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -5.19 N/A N/A 9.83% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -5.61 -6.46 -6.44 18.24% CHEMBL3086720
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.04 -4.53 -6.33 27.18% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -5.44 N/A N/A 21.36% CHEMBL3983211
HYES_HUMAN epoxide hydrolase 2 -6.28 -6.08 -5.78 35.65% CHEMBL249447
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -4.97 N/A N/A 37.25% CHEMBL1253688
MDR1_HUMAN ATP binding cassette subfamily B member 1 -4.92 -5.45 N/A 46.60% CHEMBL2074725
MIF_HUMAN macrophage migration inhibitory factor -4.93 -5.25 -5.17 30.26% CHEMBL2375653
MK01_HUMAN mitogen-activated protein kinase 1 -5.35 -4.70 -4.67 27.36% CHEMBL319244
MK03_HUMAN mitogen-activated protein kinase 3 -5.36 -5.46 -5.70 25.12% CHEMBL555017
MTOR_HUMAN mechanistic target of rapamycin kinase -4.96 -5.49 -4.93 38.24% CHEMBL1911631
NEP_HUMAN membrane metalloendopeptidase -6.21 -6.03 -6.08 21.10% CHEMBL434492
NK1R_HUMAN tachykinin receptor 1 -5.15 -5.50 -4.74 21.53% CHEMBL435564
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.17 -6.06 -6.30 8.59% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -5.53 -5.45 -5.31 14.18% CHEMBL218546
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.17 -6.13 -6.30 11.39% CHEMBL248438
NOS1_HUMAN nitric oxide synthase 1 -6.55 -6.62 -6.32 14.41% CHEMBL298404
NOS2_HUMAN nitric oxide synthase 2 -6.15 -5.61 -7.30 23.47% CHEMBL195352
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -4.69 -5.21 -5.04 23.36% CHEMBL444109
OPRD_HUMAN opioid receptor delta 1 -4.87 -4.19 -4.54 32.33% CHEMBL1161423
OPRK_HUMAN opioid receptor kappa 1 -5.44 -5.24 -5.64 38.98% CHEMBL1773748
OPRM_MOUSE Mu-type opioid receptor -4.92 -5.03 N/A 20.69% CHEMBL405663
OPRX_HUMAN opioid related nociceptin receptor 1 -5.26 -5.34 -4.91 19.51% CHEMBL3262362
P2RX3_HUMAN purinergic receptor P2X 3 -4.72 -4.17 -4.79 16.75% CHEMBL3679817
P2Y12_HUMAN purinergic receptor P2Y12 -5.08 -6.19 -5.80 20.00% CHEMBL250832
PAR1_HUMAN coagulation factor II thrombin receptor -5.32 N/A N/A 26.14% CHEMBL2012500
PDE4B_HUMAN phosphodiesterase 4B -5.59 -5.99 -6.00 32.52% CHEMBL2063002
PDE5A_HUMAN phosphodiesterase 5A -5.59 -5.90 -6.00 16.47% CHEMBL190364
PERM_HUMAN myeloperoxidase -5.10 -5.43 -5.08 14.81% CHEMBL3920217
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.73 -5.41 -5.18 43.22% CHEMBL502799
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.59 -5.53 -5.45 48.28% CHEMBL463571
PPAP_HUMAN acid phosphatase 3 -5.80 N/A N/A 8.89% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -4.86 -5.49 -5.21 45.45% CHEMBL2178586
PRGR_HUMAN progesterone receptor -5.66 -5.63 -5.31 42.70% CHEMBL3695598
PTGES_HUMAN prostaglandin E synthase -6.28 N/A N/A 29.21% CHEMBL3289107
SC6A4_HUMAN solute carrier family 6 member 4 -5.66 -5.76 -5.51 32.33% CHEMBL185169
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -5.69 N/A N/A 17.03% CHEMBL3942132
TLR4_HUMAN toll like receptor 4 -5.29 -5.34 -5.48 34.85% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -4.87 N/A N/A 19.53% CHEMBL3983488
TRBM_HUMAN thrombomodulin -5.91 -5.96 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.74 -5.53 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -5.34 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.15 N/A N/A 38.30% CHEMBL104647
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.23 -6.02 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -3.86 -5.08 N/A 13.29% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -6.40 -5.94 -4.53 N/A N/A
TRY1_HUMAN serine protease 1 -5.86 N/A N/A 30.77% CHEMBL318001