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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL601440
Molecular formula	C18H14ClFN2O2
IUPAC name	N-(4-chlorophenyl)-3-(3-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
Molecular weight	344.77
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50415399
Inchi Key	DMPXXMYUUVEGKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)12-4-3-5-14(20)10-12)18(23)22(2)15-8-6-13(19)7-9-15/h3-10H,1-2H3
PubChem CID	46232530
ChEMBL	CHEMBL601440
IUPHAR	N/A
BindingDB	50415399
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	7.94 nM	PMID20097073	BindingDB
EC50	7.943 nM	PMID20097073	ChEMBL

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