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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	CHEMBL3290726
Molecular formula	C28H24ClN3O5
IUPAC name	3-[6-chloro-5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-yl]propanoic acid
Molecular weight	517.966
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50019473 SCHEMBL15933808
Inchi Key	FDNYQWLSNDFHBJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H24ClN3O5/c29-21-14-25-19(17(16-36-25)5-8-27(33)34)13-26(21)37-24-9-10-30-15-20(24)28(35)32-12-11-31(18-6-7-18)22-3-1-2-4-23(22)32/h1-4,9-10,13-16,18H,5-8,11-12H2,(H,33,34)
PubChem CID	77845284
ChEMBL	CHEMBL3290726
IUPHAR	N/A
BindingDB	50019473
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	675.0 nM	PMID24863981	BindingDB,ChEMBL

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