trial #459 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 -5.76 -5.74 -5.61 45.12% CHEMBL8165
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -6.13 -5.96 N/A 100.00% CHEMBL26687
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.49 -6.16 -6.57 100.00% CHEMBL26687
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -5.96 -6.28 N/A 100.00% CHEMBL26687
AA1R_HUMAN adenosine A1 receptor -5.66 -5.51 -5.87 42.39% CHEMBL1544
AA2AR_HUMAN adenosine A2a receptor -5.79 -5.88 -5.91 36.56% CHEMBL166424
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -6.40 -6.51 -6.68 66.10% CHEMBL2088633
ACE_HUMAN angiotensin I converting enzyme -5.80 -5.64 -5.71 37.70% CHEMBL173849
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -4.90 N/A N/A 15.64% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -4.99 -5.71 -5.57 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.56 -4.16 N/A 74.07% CHEMBL4073256
ACM4_HUMAN cholinergic receptor muscarinic 4 -6.46 -5.86 N/A 47.06% CHEMBL2205811
ADRB2_HUMAN adrenoceptor beta 2 -5.60 -6.05 -6.53 65.15% CHEMBL3099657
AGTR2_HUMAN angiotensin II receptor type 2 -5.35 -5.24 -5.08 33.33% CHEMBL155987
ALDR_HUMAN aldo-keto reductase family 1 member B -5.97 -5.56 -6.12 41.57% CHEMBL114289
AMPN_HUMAN alanyl aminopeptidase, membrane -5.60 -6.20 -5.38 46.34% CHEMBL3806197
AOFA_HUMAN monoamine oxidase A -6.35 -6.08 -6.31 52.05% CHEMBL3415801
AOFB_HUMAN monoamine oxidase B -6.26 -6.22 -6.26 60.61% CHEMBL4205909
BACE1_HUMAN beta-secretase 1 -4.70 -5.08 -5.74 40.91% CHEMBL2298980
CAH2_HUMAN carbonic anhydrase 2 -5.93 -5.70 -5.63 74.63% CHEMBL2387066
CASP1_HUMAN caspase 1 -5.08 -4.96 -4.71 36.36% CHEMBL1221503
CDK5_HUMAN cyclin dependent kinase 5 -6.05 -6.19 -7.02 38.83% CHEMBL1976240
CHLE_HUMAN butyrylcholinesterase -6.01 -5.90 -6.11 52.38% CHEMBL521589
CNR1_HUMAN cannabinoid receptor 1 -4.81 -6.20 -6.33 48.75% CHEMBL478210
CNR2_HUMAN cannabinoid receptor 2 -5.76 -5.77 N/A 48.75% CHEMBL478210
COLI_HUMAN proopiomelanocortin -5.92 -5.72 -5.21 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -4.40 -4.30 -4.66 31.09% CHEMBL4639358
CRP_HUMAN C-reactive protein -4.41 -4.19 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.17 N/A N/A 30.10% CHEMBL4442431
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.11 -5.18 -5.74 38.55% CHEMBL4440964
DRD2_HUMAN dopamine receptor D2 -5.69 N/A N/A 72.00% CHEMBL59
DRD3_HUMAN dopamine receptor D3 -6.26 N/A N/A 72.00% CHEMBL59
DRD4_HUMAN dopamine receptor D4 -6.01 -6.31 N/A 72.00% CHEMBL59
EDN1_HUMAN endothelin 1 -5.89 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -5.77 -5.75 -5.73 50.77% CHEMBL311636
FABP5_HUMAN fatty acid binding protein 5 -5.08 -3.99 -4.14 37.37% CHEMBL212860
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -5.85 N/A N/A 36.26% CHEMBL221753
GLRA3_HUMAN glycine receptor alpha 3 -5.62 -5.67 -5.71 20.00% CHEMBL4070615
GLRA3_HUMAN glycine receptor alpha 3 -6.13 N/A N/A 20.00% CHEMBL4070615
GRM5_HUMAN glutamate metabotropic receptor 5 -5.84 -5.92 -5.89 39.77% CHEMBL1289626
HPGDS_HUMAN hematopoietic prostaglandin D synthase -5.40 -5.32 -6.09 28.00% CHEMBL4530713
HRH1_HUMAN histamine receptor H1 -6.26 N/A N/A 44.94% CHEMBL482496
HYES_HUMAN epoxide hydrolase 2 -5.84 -5.98 -5.26 49.35% CHEMBL4475844
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -5.78 N/A N/A 40.22% CHEMBL3125821
MDR1_HUMAN ATP binding cassette subfamily B member 1 -5.24 -5.27 N/A 60.53% CHEMBL2398181
MIF_HUMAN macrophage migration inhibitory factor -4.86 -4.93 -5.00 39.71% CHEMBL81201
MK01_HUMAN mitogen-activated protein kinase 1 -5.50 -5.29 -4.97 38.83% CHEMBL1976240
MK03_HUMAN mitogen-activated protein kinase 3 -5.79 -6.04 -5.41 31.58% CHEMBL4291759
MTOR_HUMAN mechanistic target of rapamycin kinase -5.86 -6.05 -5.91 45.05% CHEMBL4214825
NEP_HUMAN membrane metalloendopeptidase -5.86 -5.33 -5.74 43.69% CHEMBL11806
NK1R_HUMAN tachykinin receptor 1 -5.45 -5.98 -5.51 48.08% CHEMBL172676
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -6.68 -6.55 -6.92 25.77% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -6.24 -5.80 -6.35 51.95% CHEMBL3357784
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -6.67 -6.58 -6.92 19.20% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -6.41 -6.65 -6.48 38.32% CHEMBL4099944
NOS2_HUMAN nitric oxide synthase 2 -5.90 -6.38 -6.49 38.00% CHEMBL1762476
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -5.68 -5.74 -5.59 39.05% CHEMBL261849
OPRD_HUMAN opioid receptor delta 1 -5.37 -4.64 -5.05 53.85% CHEMBL4094512
OPRK_HUMAN opioid receptor kappa 1 -5.62 -5.46 -5.83 62.16% CHEMBL3735756
OPRM_MOUSE Mu-type opioid receptor -5.76 -5.59 N/A 41.18% CHEMBL46399
OPRX_HUMAN opioid related nociceptin receptor 1 -5.09 -5.06 -5.03 42.70% CHEMBL448155
P2RX3_HUMAN purinergic receptor P2X 3 -4.62 -4.26 -4.68 36.22% CHEMBL4557775
P2Y12_HUMAN purinergic receptor P2Y12 -6.31 -5.80 -6.28 28.75% CHEMBL25
PAR1_HUMAN coagulation factor II thrombin receptor -6.01 N/A N/A 33.62% CHEMBL2370948
PDE4B_HUMAN phosphodiesterase 4B -5.73 -6.89 -6.28 52.27% CHEMBL36724
PDE5A_HUMAN phosphodiesterase 5A -5.76 -5.78 -5.78 33.94% CHEMBL363889
PERM_HUMAN myeloperoxidase -6.31 -6.26 -5.91 43.48% CHEMBL3925807
PGH1_SHEEP Prostaglandin G/H synthase 1 -5.27 -5.91 -5.92 44.44% CHEMBL12952
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -5.90 -6.36 -6.25 49.23% CHEMBL83527
PPAP_HUMAN acid phosphatase 3 -5.35 -5.68 N/A 34.02% CHEMBL507996
PPARG_HUMAN peroxisome proliferator activated receptor gamma -5.70 -5.88 -5.43 45.54% CHEMBL1836977
PRGR_HUMAN progesterone receptor -5.70 -5.66 -5.48 41.38% CHEMBL51788
PTGES_HUMAN prostaglandin E synthase -5.23 N/A N/A 38.14% CHEMBL3753433
SC6A4_HUMAN solute carrier family 6 member 4 -5.69 -5.69 -6.11 66.18% CHEMBL43048
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -5.62 N/A N/A 34.65% CHEMBL3940953
TLR4_HUMAN toll like receptor 4 -4.60 -5.02 -4.99 34.06% CHEMBL3261007
TNFA_HUMAN tumor necrosis factor -5.29 -5.46 -4.01 48.94% CHEMBL63
TRBM_HUMAN thrombomodulin -5.35 -5.12 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -4.64 -4.87 N/A 21.31% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -5.78 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -5.87 N/A N/A 56.41% CHEMBL2057855
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -6.08 -5.55 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -4.55 -5.26 N/A 27.86% CHEMBL3664218
TRXR1_HUMAN thioredoxin reductase 1 -5.68 -5.82 -4.41 21.80% CHEMBL4459518
TRY1_HUMAN serine protease 1 -4.46 N/A N/A 37.04% CHEMBL149157