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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 | CHEMBL2435922 |
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Molecular formula | C23H19F7N2 |
IUPAC name | 1-[3,5-bis(trifluoromethyl)phenyl]-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]propan-1-amine |
Molecular weight | 456.408 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 6.1 |
Synonyms | BDBM50441400 |
Inchi Key | AOOGKLLTJDFQKG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H19F7N2/c1-2-21(14-9-16(22(25,26)27)11-17(10-14)23(28,29)30)32-13-15-12-31-8-7-18(15)19-5-3-4-6-20(19)24/h3-12,21,32H,2,13H2,1H3 |
PubChem CID | 73349425 |
ChEMBL | CHEMBL2435922 |
IUPHAR | N/A |
BindingDB | 50441400 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 91.0 % | PMID24007860 | ChEMBL |
EC50 | 384.0 nM | PMID24007860 | BindingDB,ChEMBL |
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