test #309 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 -8.54 -7.57 -8.00 41.54% CHEMBL146942
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.70 -8.46 N/A 57.45% CHEMBL483388
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.51 -8.47 -8.61 48.98% CHEMBL452719
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.56 -8.28 N/A 48.98% CHEMBL452719
AA1R_HUMAN adenosine A1 receptor -8.06 -8.02 -8.28 31.58% CHEMBL3314905
AA2AR_HUMAN adenosine A2a receptor -7.95 -8.37 -9.02 31.58% CHEMBL3314905
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -9.01 -7.67 -8.62 56.25% CHEMBL185896
ACE_HUMAN angiotensin I converting enzyme -6.75 -7.09 -6.53 28.72% CHEMBL86915
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -5.56 N/A N/A 13.95% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -9.09 -8.94 -8.37 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.12 -8.88 N/A 50.00% CHEMBL3085495
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.25 -8.15 N/A 50.00% CHEMBL3085495
ADRB2_HUMAN adrenoceptor beta 2 -8.55 -9.71 -8.78 35.29% CHEMBL1524289
AGTR2_HUMAN angiotensin II receptor type 2 -9.34 -9.58 -9.26 23.85% CHEMBL128416
ALDR_HUMAN aldo-keto reductase family 1 member B -8.92 -9.09 -9.50 27.54% CHEMBL77283
AMPN_HUMAN alanyl aminopeptidase, membrane -7.14 -7.68 -7.05 39.62% CHEMBL414393
AOFA_HUMAN monoamine oxidase A -8.74 -9.03 -9.86 54.00% CHEMBL3330334
AOFB_HUMAN monoamine oxidase B -8.79 -9.77 -9.90 54.00% CHEMBL3330330
BACE1_HUMAN beta-secretase 1 -6.56 -7.02 -6.90 35.71% CHEMBL261063
CAH2_HUMAN carbonic anhydrase 2 -6.57 -7.34 -7.13 38.24% CHEMBL105637
CASP1_HUMAN caspase 1 -6.13 -7.00 -6.04 32.14% CHEMBL466565
CDK5_HUMAN cyclin dependent kinase 5 -7.46 -8.13 -8.64 33.33% CHEMBL1988201
CHLE_HUMAN butyrylcholinesterase -8.44 -8.43 -8.66 43.90% CHEMBL3586200
CNR1_HUMAN cannabinoid receptor 1 -7.85 -8.64 -9.03 59.09% CHEMBL57840
CNR2_HUMAN cannabinoid receptor 2 -9.14 -9.40 N/A 59.09% CHEMBL57840
COLI_HUMAN proopiomelanocortin -6.94 -8.16 -7.66 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -5.86 -6.05 -5.86 21.37% CHEMBL3425731
CRP_HUMAN C-reactive protein -5.74 -5.12 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -8.23 N/A N/A 27.63% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.77 -5.99 -6.31 27.54% CHEMBL2170299
DRD2_HUMAN dopamine receptor D2 -7.65 N/A N/A 42.86% CHEMBL303336
DRD3_HUMAN dopamine receptor D3 -8.02 N/A N/A 42.22% CHEMBL335545
DRD4_HUMAN dopamine receptor D4 -8.55 -8.09 N/A 42.22% CHEMBL335545
EDN1_HUMAN endothelin 1 -7.70 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -8.06 -7.83 -7.91 65.00% CHEMBL57150
FABP5_HUMAN fatty acid binding protein 5 -6.82 -4.40 -4.12 34.62% CHEMBL8659
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -8.51 N/A N/A 32.43% CHEMBL1975923
GLRA3_HUMAN glycine receptor alpha 3 -8.08 -8.06 -9.24 10.10% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -8.43 N/A N/A 10.10% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -9.88 -9.18 -9.68 33.33% CHEMBL1682795
HPGDS_HUMAN hematopoietic prostaglandin D synthase -7.33 -7.51 -8.00 21.18% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -9.37 N/A N/A 50.00% CHEMBL1101
HYES_HUMAN epoxide hydrolase 2 -8.27 -8.20 -7.82 37.50% CHEMBL243522
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -8.09 N/A N/A 45.45% CHEMBL1253688
MDR1_HUMAN ATP binding cassette subfamily B member 1 -7.19 -7.97 N/A 46.55% CHEMBL461242
MIF_HUMAN macrophage migration inhibitory factor -8.38 -8.39 -8.45 24.78% CHEMBL209588
MK01_HUMAN mitogen-activated protein kinase 1 -6.69 -7.24 -7.50 32.10% CHEMBL1909070
MK03_HUMAN mitogen-activated protein kinase 3 -7.54 -8.94 -6.71 20.31% CHEMBL555017
MTOR_HUMAN mechanistic target of rapamycin kinase -8.77 -8.19 -8.28 31.03% CHEMBL169
NEP_HUMAN membrane metalloendopeptidase -5.88 -5.72 -7.63 38.57% CHEMBL4100250
NK1R_HUMAN tachykinin receptor 1 -8.29 -8.02 -7.28 41.18% CHEMBL143813
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -9.27 -9.50 -9.21 30.59% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -9.06 -9.70 -8.84 44.78% CHEMBL3357785
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -9.58 -9.49 -9.21 21.05% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -8.76 -8.92 -8.47 35.06% CHEMBL6875
NOS2_HUMAN nitric oxide synthase 2 -8.01 -8.29 -8.34 36.51% CHEMBL450583
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -8.96 -9.07 -9.00 39.39% CHEMBL1978371
OPRD_HUMAN opioid receptor delta 1 -7.26 -6.05 -7.03 45.76% CHEMBL411
OPRK_HUMAN opioid receptor kappa 1 -8.39 -8.57 -8.36 41.54% CHEMBL3948140
OPRM_MOUSE Mu-type opioid receptor -8.73 -6.96 N/A 38.55% CHEMBL146248
OPRX_HUMAN opioid related nociceptin receptor 1 -6.58 -7.64 -8.07 46.67% CHEMBL3959941
P2RX3_HUMAN purinergic receptor P2X 3 -4.64 -4.88 -4.69 23.88% CHEMBL3669724
P2Y12_HUMAN purinergic receptor P2Y12 -8.68 -7.19 -7.68 24.76% CHEMBL420980
PAR1_HUMAN coagulation factor II thrombin receptor -9.84 N/A N/A 28.69% CHEMBL194526
PDE4B_HUMAN phosphodiesterase 4B -8.40 -8.42 -8.00 29.17% CHEMBL511115
PDE5A_HUMAN phosphodiesterase 5A -8.85 -9.23 -8.46 19.20% CHEMBL190423
PERM_HUMAN myeloperoxidase -8.21 -8.23 -6.56 39.13% CHEMBL3920217
PGH1_SHEEP Prostaglandin G/H synthase 1 -9.58 -10.03 -9.21 38.89% CHEMBL175
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -7.76 -7.49 -8.01 49.33% CHEMBL2283180
PPAP_HUMAN acid phosphatase 3 -7.28 N/A N/A 22.09% CHEMBL501717
PPARG_HUMAN peroxisome proliferator activated receptor gamma -7.62 -8.23 -7.44 50.68% CHEMBL75133
PRGR_HUMAN progesterone receptor -8.21 -7.85 -7.81 54.93% CHEMBL50023
PTGES_HUMAN prostaglandin E synthase -7.27 N/A N/A 43.18% CHEMBL3608370
SC6A4_HUMAN solute carrier family 6 member 4 -7.94 -8.30 -8.24 57.45% CHEMBL3769872
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -8.23 N/A N/A 35.37% CHEMBL381488
TLR4_HUMAN toll like receptor 4 -8.84 -8.99 -8.82 25.00% CHEMBL4071705
TNFA_HUMAN tumor necrosis factor -6.81 N/A N/A 21.91% CHEMBL2337619
TRBM_HUMAN thrombomodulin -7.42 -7.12 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -5.29 -5.77 N/A N/A N/A
TRPM8_FICAL Uncharacterized protein -8.97 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -9.27 N/A N/A 35.48% CHEMBL2057859
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.13 -7.51 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -7.80 -6.34 N/A 25.00% CHEMBL3828278
TRXR1_HUMAN thioredoxin reductase 1 -7.37 -6.54 -6.08 N/A N/A
TRY1_HUMAN serine protease 1 -5.83 N/A N/A 40.30% CHEMBL102081