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GLASS

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GPCR

Name	G-protein coupled bile acid receptor 1
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 M-BAR hGPCR19 hBG37 GPCR19 GPBAR1 GPBA receptor GPR131 [ 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

Ligand

Name	CHEMBL598743
Molecular formula	C20H19ClN2O2
IUPAC name	3-(2-chlorophenyl)-N-(3,4-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
Molecular weight	354.834
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.8
Synonyms	BDBM50415385
Inchi Key	AQTFXVRLAZTPQM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN2O2/c1-12-9-10-15(11-13(12)2)23(4)20(24)18-14(3)25-22-19(18)16-7-5-6-8-17(16)21/h5-11H,1-4H3
PubChem CID	46232361
ChEMBL	CHEMBL598743
IUPHAR	N/A
BindingDB	50415385
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	19.95 nM	PMID20097073	BindingDB,ChEMBL

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