12 #496 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 -1.92 -1.84 -2.08 3.57% CHEMBL337539
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -2.20 -2.17 N/A 5.56% CHEMBL158973
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -1.65 -1.82 -1.76 3.57% CHEMBL471839
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -2.13 -2.12 N/A 3.57% CHEMBL471839
AA1R_HUMAN adenosine A1 receptor -2.01 -1.70 -1.74 2.78% CHEMBL3314905
AA2AR_HUMAN adenosine A2a receptor -1.92 -1.79 -1.64 2.78% CHEMBL3314905
ACES_HUMAN acetylcholinesterase (Cartwright blood group) -1.98 -2.22 -1.83 8.33% CHEMBL9113
ACE_HUMAN angiotensin I converting enzyme -2.11 -1.76 -1.60 3.33% CHEMBL311988
ACHA9_HUMAN cholinergic receptor nicotinic alpha 9 subunit -1.53 N/A N/A 0.64% CHEMBL386114
ACHB2_HUMAN cholinergic receptor nicotinic beta 2 subunit -2.09 -1.96 -2.34 N/A N/A
ACM1_HUMAN cholinergic receptor muscarinic 1 -1.85 -2.05 N/A 4.35% CHEMBL667
ACM4_HUMAN cholinergic receptor muscarinic 4 -1.81 -1.82 N/A 4.35% CHEMBL75880
ADRB2_HUMAN adrenoceptor beta 2 -1.82 -1.92 -1.87 2.13% CHEMBL27
AGTR2_HUMAN angiotensin II receptor type 2 -2.21 -1.92 -1.91 1.09% CHEMBL290829
ALDR_HUMAN aldo-keto reductase family 1 member B -1.69 -1.73 -2.03 9.09% CHEMBL173813
AMPN_HUMAN alanyl aminopeptidase, membrane -1.75 -1.92 -2.02 6.67% CHEMBL1159811
AOFA_HUMAN monoamine oxidase A -1.85 -2.21 -2.09 3.45% CHEMBL1089
AOFB_HUMAN monoamine oxidase B -1.82 -1.88 -1.89 3.57% CHEMBL198810
BACE1_HUMAN beta-secretase 1 -1.76 -1.78 -1.54 2.50% CHEMBL3586197
CAH2_HUMAN carbonic anhydrase 2 -1.86 -1.85 -1.87 7.69% CHEMBL1946181
CASP1_HUMAN caspase 1 -1.64 -1.78 -1.30 1.69% CHEMBL252716
CDK5_HUMAN cyclin dependent kinase 5 -2.03 -2.09 -2.14 1.89% CHEMBL1991734
CHLE_HUMAN butyrylcholinesterase -1.93 -2.05 -2.10 5.26% CHEMBL498645
CNR1_HUMAN cannabinoid receptor 1 -1.89 -2.05 -2.19 2.50% CHEMBL146346
CNR2_HUMAN cannabinoid receptor 2 -2.00 -1.91 N/A 4.76% CHEMBL3360190
COLI_HUMAN proopiomelanocortin -1.40 -1.40 -1.59 N/A N/A
COMT_HUMAN catechol-O-methyltransferase -1.46 -1.34 -1.73 1.79% CHEMBL4175239
CRP_HUMAN C-reactive protein -1.57 -1.63 N/A N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -2.09 N/A N/A 1.72% CHEMBL191413
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -2.19 -1.56 -1.81 2.27% CHEMBL18442
DRD2_HUMAN dopamine receptor D2 -1.64 N/A N/A 5.56% CHEMBL158973
DRD3_HUMAN dopamine receptor D3 -1.82 N/A N/A 3.12% CHEMBL964
DRD4_HUMAN dopamine receptor D4 -1.79 -2.04 N/A 2.78% CHEMBL59
EDN1_HUMAN endothelin 1 -2.09 N/A N/A N/A N/A
ESR1_HUMAN estrogen receptor 1 -1.73 -1.84 -1.84 3.70% CHEMBL194772
FABP5_HUMAN fatty acid binding protein 5 -1.51 -1.26 -1.15 5.26% CHEMBL82293
FYN_HUMAN FYN proto-oncogene, Src family tyrosine kinase -1.57 N/A N/A 3.45% CHEMBL334255
GLRA3_HUMAN glycine receptor alpha 3 -2.08 -1.78 -2.59 0.58% CHEMBL4074873
GLRA3_HUMAN glycine receptor alpha 3 -2.05 N/A N/A 0.58% CHEMBL4074873
GRM5_HUMAN glutamate metabotropic receptor 5 -1.75 -2.33 -2.35 2.94% CHEMBL1783985
HPGDS_HUMAN hematopoietic prostaglandin D synthase -2.12 -1.94 -2.05 1.56% CHEMBL1743209
HRH1_HUMAN histamine receptor H1 -2.27 N/A N/A 2.78% CHEMBL47482
HYES_HUMAN epoxide hydrolase 2 -1.60 -1.93 -1.83 3.12% CHEMBL1458
IKKB_HUMAN inhibitor of nuclear factor kappa B kinase subunit beta -2.07 N/A N/A 1.92% CHEMBL482477
MDR1_HUMAN ATP binding cassette subfamily B member 1 -2.16 -2.12 N/A 7.69% CHEMBL170458
MIF_HUMAN macrophage migration inhibitory factor -2.06 -2.04 -1.85 6.25% CHEMBL233248
MK01_HUMAN mitogen-activated protein kinase 1 -1.73 -1.81 -2.00 2.50% CHEMBL38
MK03_HUMAN mitogen-activated protein kinase 3 -1.78 -1.64 -1.78 2.00% CHEMBL4291759
MTOR_HUMAN mechanistic target of rapamycin kinase -2.17 -2.14 -1.94 2.70% CHEMBL169
NEP_HUMAN membrane metalloendopeptidase -1.86 -1.88 -1.78 2.22% CHEMBL211529
NK1R_HUMAN tachykinin receptor 1 -2.04 -1.83 -1.68 1.92% CHEMBL71498
NMDE1_HUMAN glutamate ionotropic receptor NMDA type subunit 2A -2.05 -1.83 -2.12 1.39% CHEMBL284237
NMDE2_HUMAN glutamate ionotropic receptor NMDA type subunit 2B -1.67 -2.19 -1.98 2.22% CHEMBL159530
NMDZ1_HUMAN glutamate ionotropic receptor NMDA type subunit 1 -2.04 -1.83 -2.12 1.01% CHEMBL419399
NOS1_HUMAN nitric oxide synthase 1 -1.93 -1.91 -1.96 7.14% CHEMBL321691
NOS2_HUMAN nitric oxide synthase 2 -2.02 -1.93 -1.90 7.69% CHEMBL1783071
NTRK1_HUMAN neurotrophic receptor tyrosine kinase 1 -1.81 -2.06 -2.02 1.89% CHEMBL1991734
OPRD_HUMAN opioid receptor delta 1 -1.92 -1.64 -1.90 2.22% CHEMBL127346
OPRK_HUMAN opioid receptor kappa 1 -2.00 -1.94 -2.14 4.00% CHEMBL2432039
OPRM_MOUSE Mu-type opioid receptor -1.74 -2.39 N/A 1.67% CHEMBL151416
OPRX_HUMAN opioid related nociceptin receptor 1 -1.66 -1.91 -1.94 2.78% CHEMBL4460776
P2RX3_HUMAN purinergic receptor P2X 3 -1.29 -1.32 -1.45 1.37% CHEMBL2180149
P2Y12_HUMAN purinergic receptor P2Y12 -2.27 -2.21 -1.88 2.27% CHEMBL299895
PAR1_HUMAN coagulation factor II thrombin receptor -2.00 N/A N/A 1.96% CHEMBL80672
PDE4B_HUMAN phosphodiesterase 4B -1.66 -1.91 -1.98 1.49% CHEMBL2011582
PDE5A_HUMAN phosphodiesterase 5A -1.93 -1.88 -1.93 1.16% CHEMBL454606
PERM_HUMAN myeloperoxidase -1.95 -2.00 -1.96 2.63% CHEMBL2170241
PGH1_SHEEP Prostaglandin G/H synthase 1 -2.46 -2.30 -2.21 2.78% CHEMBL175
PGH2_HUMAN prostaglandin-endoperoxide synthase 2 -2.10 -2.04 -2.12 2.78% CHEMBL175
PPAP_HUMAN acid phosphatase 3 -1.67 ? N/A ? ?
PPARG_HUMAN peroxisome proliferator activated receptor gamma -1.78 -2.03 -1.83 5.00% CHEMBL3786150
PRGR_HUMAN progesterone receptor -1.83 -1.94 -1.86 3.23% CHEMBL1684463
PTGES_HUMAN prostaglandin E synthase -1.91 N/A N/A 2.78% CHEMBL566929
SC6A4_HUMAN solute carrier family 6 member 4 -1.98 -1.83 -1.85 3.70% CHEMBL1200623
SCN9A_HUMAN sodium voltage-gated channel alpha subunit 9 -1.57 N/A N/A 1.59% CHEMBL4288200
TLR4_HUMAN toll like receptor 4 -1.48 -1.96 -1.50 1.28% CHEMBL1223752
TNFA_HUMAN tumor necrosis factor -1.51 ? ? ? ?
TRBM_HUMAN thrombomodulin -1.79 -2.08 N/A N/A N/A
TRPM4_HUMAN transient receptor potential cation channel subfamily M member 4 -1.86 -1.68 N/A 1.02% CHEMBL1408302
TRPM8_FICAL Uncharacterized protein -2.29 N/A N/A N/A N/A
TRPV1_RAT Transient receptor potential cation channel subfamily V member 1 -1.94 N/A N/A 2.63% CHEMBL504463
TRPV2_RABIT Transient receptor potential cation channel subfamily V member 2 -1.66 -1.90 N/A N/A N/A
TRPV3_HUMAN transient receptor potential cation channel subfamily V member 3 -1.85 -1.50 N/A 1.67% CHEMBL73188
TRXR1_HUMAN thioredoxin reductase 1 -1.69 -1.79 -1.34 0.89% CHEMBL4459518
TRY1_HUMAN serine protease 1 -1.64 N/A N/A 2.94% CHEMBL319264