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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 | CHEMBL3290736 |
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Molecular formula | C29H26ClN3O5 |
IUPAC name | 3-[5-chloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-3-methyl-1-benzofuran-2-yl]propanoic acid |
Molecular weight | 531.993 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50019466 |
Inchi Key | KBEYTIZTXJACDD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H26ClN3O5/c1-17-23(10-11-26(34)35)37-25-9-8-20(30)28(27(17)25)38-24-12-13-31-16-19(24)29(36)33-15-14-32(18-6-7-18)21-4-2-3-5-22(21)33/h2-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,1H3,(H,34,35) |
PubChem CID | 90644448 |
ChEMBL | CHEMBL3290736 |
IUPHAR | N/A |
BindingDB | 50019466 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
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EC50 | 35.0 nM | PMID24863981 | BindingDB,ChEMBL |
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