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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	CHEMBL3421901
Molecular formula	C29H28Cl2N4O5
IUPAC name	2-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoyl-methylamino]acetic acid
Molecular weight	583.466
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50081115
Inchi Key	MOFOOYBSMHSAHK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H28Cl2N4O5/c1-33(17-28(37)38)27(36)9-6-18-14-22(31)26(15-21(18)30)40-25-10-11-32-16-20(25)29(39)35-13-12-34(19-7-8-19)23-4-2-3-5-24(23)35/h2-5,10-11,14-16,19H,6-9,12-13,17H2,1H3,(H,37,38)
PubChem CID	71626229
ChEMBL	CHEMBL3421901
IUPHAR	N/A
BindingDB	50081115
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	15000.0 nM	PMID25710631	BindingDB,ChEMBL

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