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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 | CHEMBL3290724 |
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Molecular formula | C26H20ClN3O5 |
IUPAC name | 6-chloro-5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-carboxylic acid |
Molecular weight | 489.912 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | SCHEMBL15933844 |
Inchi Key | BDBNGUKQXJYWDD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H20ClN3O5/c27-19-12-23-16(18(14-34-23)26(32)33)11-24(19)35-22-7-8-28-13-17(22)25(31)30-10-9-29(15-5-6-15)20-3-1-2-4-21(20)30/h1-4,7-8,11-15H,5-6,9-10H2,(H,32,33) |
PubChem CID | 77845060 |
ChEMBL | CHEMBL3290724 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 38.0 % | PMID24863981 | ChEMBL |
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