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Name | G-protein coupled bile acid receptor 1 |
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Species | Homo sapiens (Human) |
Gene | GPBAR1 |
Synonym | G-protein coupled receptor GPCR19 TGR5 BG37 G protein-coupled bile acid receptor 1 membrane-type receptor for bile acids [ Show all ] |
Disease | Type 2 diabetes Metabolic disorders |
Length | 330 |
Amino acid sequence | MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQPPGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGAAAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPYVATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQGLWGRASRDSPGPSIAYHPSSQSSVDLDLN |
UniProt | Q8TDU6 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q8TDU6 |
3D structure model | This predicted structure model is from GPCR-EXP Q8TDU6. |
BioLiP | N/A |
Therapeutic Target Database | T86273 |
ChEMBL | CHEMBL5409 |
IUPHAR | 37 |
DrugBank | BE0005788 |
Name | CHEMBL2435924 |
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Molecular formula | C22H14F7N3 |
IUPAC name | 2-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(2-fluorophenyl)pyridin-3-yl]methylamino]acetonitrile |
Molecular weight | 453.364 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | BDBM50441389 |
Inchi Key | JHROTYQIVZBEAV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H14F7N3/c23-19-4-2-1-3-18(19)17-5-6-31-11-14(17)12-32-20(10-30)13-7-15(21(24,25)26)9-16(8-13)22(27,28)29/h1-9,11,20,32H,12H2 |
PubChem CID | 73352466 |
ChEMBL | CHEMBL2435924 |
IUPHAR | N/A |
BindingDB | 50441389 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 101.0 % | PMID24007860 | ChEMBL |
EC50 | 35.0 nM | PMID24007860 | BindingDB,ChEMBL |
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