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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	CHEMBL3321847
Molecular formula	C18H14Cl2N4O2
IUPAC name	N-(2-aminophenyl)-4-(2,5-dichlorophenoxy)-N-methylpyrimidine-5-carboxamide
Molecular weight	389.236
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50100564
Inchi Key	BWBIWCHYBAQMTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H14Cl2N4O2/c1-24(15-5-3-2-4-14(15)21)18(25)12-9-22-10-23-17(12)26-16-8-11(19)6-7-13(16)20/h2-10H,21H2,1H3
PubChem CID	118709774
ChEMBL	CHEMBL3321847
IUPHAR	N/A
BindingDB	50100564
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	<1000.0 nM	PMID25082126	BindingDB,ChEMBL

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