Thesis_example #96 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 -7.63 -7.62 -7.92 11.11% CHEMBL146942
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.39 -7.26 N/A 20.00% CHEMBL334255
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.27 -8.12 -8.21 15.22% CHEMBL1123
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.94 -8.13 N/A 20.00% CHEMBL334255
AA1R_HUMAN adenosine A1 receptor -7.23 -7.87 -8.12 16.22% CHEMBL3314905
AA2AR_HUMAN adenosine A2a receptor -7.92 -7.85 -7.81 16.22% CHEMBL3314905
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -7.90 -7.23 -8.35 30.43% CHEMBL345241
ACE_HUMAN angiotensin I converting enzyme -6.61 -7.09 -6.38 19.35% CHEMBL311988
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -6.18 N/A N/A 2.50% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -6.42 -5.76 -5.99 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.09 -4.76 N/A 30.43% CHEMBL75880
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.06 -8.11 N/A 30.43% CHEMBL75880
ADRB2_HUMAN adrenoceptor beta 2 -7.44 -7.14 -8.11 10.45% CHEMBL1332942
AGTR2_HUMAN angiotensin II receptor type 2 -7.14 -7.07 -7.08 4.12% CHEMBL376286
ALDR_HUMAN aldo-keto reductase family 1 member B -7.34 -7.37 -7.71 12.50% CHEMBL173813
AMPN_HUMAN alanyl aminopeptidase, membrane -6.45 -7.53 -6.89 20.59% CHEMBL27519
AOFA_HUMAN monoamine oxidase A -7.94 -8.15 -7.75 15.38% CHEMBL3330334
AOFB_HUMAN monoamine oxidase B -7.82 -7.87 -7.68 15.38% CHEMBL3330330
BACE1_HUMAN beta-secretase 1 -6.50 -6.30 -7.09 17.50% CHEMBL3586197
CAH2_HUMAN carbonic anhydrase 2 -5.71 -5.95 -5.76 53.85% CHEMBL1946183
CASP1_HUMAN caspase 1 -5.12 -6.11 -5.13 11.86% CHEMBL252716
CDK5_HUMAN cyclin dependent kinase 5 -7.56 -8.23 -8.54 12.73% CHEMBL1994526
CHLE_HUMAN butyrylcholinesterase -7.28 -6.97 -7.09 36.84% CHEMBL498645
CNR1_HUMAN cannabinoid receptor 1 -7.55 -7.32 -8.50 15.22% CHEMBL3809355
CNR2_HUMAN cannabinoid receptor 2 -8.14 -7.65 N/A 27.27% CHEMBL3360190
COLI_HUMAN proopiomelanocortin -7.38 -7.17 -7.05 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.88 -5.44 -5.75 3.77% CHEMBL3425731
CRP_HUMAN C-reactive protein -4.81 -4.79 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.81 N/A N/A 4.84% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.25 -5.56 -7.43 9.80% CHEMBL2170299
DRD2_HUMAN dopamine receptor D2 -7.18 N/A N/A 12.73% CHEMBL78916
DRD3_HUMAN dopamine receptor D3 -7.39 N/A N/A 15.22% CHEMBL1123
DRD4_HUMAN dopamine receptor D4 -7.76 -7.72 N/A 11.32% CHEMBL162762
EDN1_HUMAN endothelin 1 -7.23 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -7.46 -7.46 -7.32 25.93% CHEMBL1200623
FABP5_HUMAN fatty acid binding protein 5 -6.50 -4.95 -5.17 30.00% CHEMBL82293
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -7.57 N/A N/A 20.00% CHEMBL334255
GLRA3_HUMAN glycine receptor alpha 3 -7.77 -7.70 -7.51 2.07% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -7.56 N/A N/A 2.07% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -6.83 -8.80 -8.59 20.59% CHEMBL1783985
HPGDS_HUMAN hematopoietic prostaglandin D synthase -6.35 -5.83 -7.60 9.23% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -8.08 N/A N/A 12.07% CHEMBL571174
HYES_HUMAN epoxide hydrolase 2 -6.62 -7.59 -6.57 21.21% CHEMBL69663
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.37 N/A N/A 11.29% CHEMBL1762621
MDR1_HUMAN ATP binding cassette subfamily B member 1 -6.64 -7.43 N/A 50.00% CHEMBL486954
MIF_HUMAN macrophage migration inhibitory factor -5.77 -6.74 -6.36 5.83% CHEMBL209588
MK01_HUMAN mitogen-activated protein kinase 1 -7.34 -7.05 -5.71 14.63% CHEMBL547
MK03_HUMAN mitogen-activated protein kinase 3 -7.35 -7.28 -6.83 6.25% CHEMBL3113587
MTOR_HUMAN mechanistic target of rapamycin kinase -7.46 -8.05 -8.33 18.92% CHEMBL169
NEP_HUMAN membrane metalloendopeptidase -6.62 -6.07 -5.47 15.56% CHEMBL211529
NK1R_HUMAN tachykinin receptor 1 -7.61 -7.86 -7.42 10.45% CHEMBL49175
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -7.80 -7.91 -8.10 3.95% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -7.67 -7.54 -7.55 12.96% CHEMBL3357791
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -7.85 -7.89 -8.10 4.31% CHEMBL325890
NOS1_HUMAN nitric oxide synthase 1 -7.73 -7.86 -7.08 17.07% CHEMBL185441
NOS2_HUMAN nitric oxide synthase 2 -5.62 -5.66 -6.38 21.05% CHEMBL1783072
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.25 -8.05 -8.13 6.74% CHEMBL1982413
OPRD_HUMAN opioid receptor delta 1 -6.25 -6.26 -6.25 13.46% CHEMBL2112342
OPRK_HUMAN opioid receptor kappa 1 -7.68 -7.77 -7.21 28.00% CHEMBL2432039
OPRM_MOUSE Mu-type opioid receptor -7.74 -6.90 N/A 9.86% CHEMBL592
OPRX_HUMAN opioid related nociceptin receptor 1 -6.49 -6.69 -6.46 14.58% CHEMBL53256
P2RX3_HUMAN purinergic receptor P2X 3 -4.81 -4.56 -4.67 5.79% CHEMBL3674941
P2Y12_HUMAN purinergic receptor P2Y12 -7.65 -7.17 -7.00 15.91% CHEMBL299895
PAR1_HUMAN coagulation factor II thrombin receptor -7.71 N/A N/A 9.43% CHEMBL80672
PDE4B_HUMAN phosphodiesterase 4B -7.44 -8.30 -8.25 8.24% CHEMBL511115
PDE5A_HUMAN phosphodiesterase 5A -7.72 -7.51 -7.54 6.86% CHEMBL554946
PERM_HUMAN myeloperoxidase -7.71 -8.01 -7.78 7.69% CHEMBL1630743
PGH1_SHEEP Prostaglandin G/H synthase 1 -6.72 -8.53 -7.69 16.28% CHEMBL503071
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.36 -7.76 -7.25 13.73% CHEMBL504631
PPAP_HUMAN acid phosphatase 3 -6.41 N/A N/A 2.82% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.23 -7.06 -7.25 17.95% CHEMBL230006
PRGR_HUMAN progesterone receptor -7.19 -7.41 -6.88 22.58% CHEMBL1684464
PTGES_HUMAN prostaglandin E synthase -5.94 N/A N/A 19.44% CHEMBL566929
SC6A4_HUMAN solute carrier family 6 member 4 -7.59 -7.15 -7.94 25.93% CHEMBL1200623
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -7.54 N/A N/A 8.22% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -7.00 -7.14 -7.47 8.97% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -6.43 N/A N/A 6.54% CHEMBL3944621
TRBM_HUMAN thrombomodulin -5.82 -5.77 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -6.15 -5.97 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -7.73 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -6.59 N/A N/A 9.43% CHEMBL15848
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.57 -7.15 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.10 -6.23 N/A 6.48% CHEMBL3696381
TRXR1_HUMAN thioredoxin reductase 1 -6.19 -6.35 -5.30 N/A N/A
TRY1_HUMAN serine protease 1 -4.80 N/A N/A 13.73% CHEMBL289395