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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	CHEMBL604524
Molecular formula	C21H21ClN2O2
IUPAC name	3-(2-chlorophenyl)-N,5-dimethyl-N-(4-propylphenyl)-1,2-oxazole-4-carboxamide
Molecular weight	368.861
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.4
Synonyms	BDBM50415388
Inchi Key	CHDRRISOFKAHLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21ClN2O2/c1-4-7-15-10-12-16(13-11-15)24(3)21(25)19-14(2)26-23-20(19)17-8-5-6-9-18(17)22/h5-6,8-13H,4,7H2,1-3H3
PubChem CID	46232411
ChEMBL	CHEMBL604524
IUPHAR	N/A
BindingDB	50415388
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	6309.57 nM	PMID20097073	BindingDB,ChEMBL

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