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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	CHEMBL3290703
Molecular formula	C26H22N4O2
IUPAC name	(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-quinolin-6-yloxypyridin-3-yl)methanone
Molecular weight	422.488
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50019506
Inchi Key	AXZYYCXRZMBVEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H22N4O2/c31-26(30-15-14-29(19-7-8-19)23-5-1-2-6-24(23)30)21-17-27-13-11-25(21)32-20-9-10-22-18(16-20)4-3-12-28-22/h1-6,9-13,16-17,19H,7-8,14-15H2
PubChem CID	71626555
ChEMBL	CHEMBL3290703
IUPHAR	N/A
BindingDB	50019506
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	64.0 nM	PMID24863981	BindingDB,ChEMBL

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