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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 | CHEMBL3234555 |
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Molecular formula | C19H22ClFN4O |
IUPAC name | (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoro-4-methylpyrimidin-2-yl)piperidine-3-carboxamide |
Molecular weight | 376.86 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | BDBM50003307 |
Inchi Key | LKSVABYLSASGIU-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C19H22ClFN4O/c1-13-17(21)11-23-19(24-13)25-10-2-3-15(12-25)18(26)22-9-8-14-4-6-16(20)7-5-14/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,22,26)/t15-/m1/s1 |
PubChem CID | 90654574 |
ChEMBL | CHEMBL3234555 |
IUPHAR | N/A |
BindingDB | 50003307 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 8.0 nM | PMID24666203 | ChEMBL |
EC50 | 8.0 nM | PMID24666203 | BindingDB |
Efficacy | 100.0 % | PMID24666203 | ChEMBL |
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