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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	CHEMBL2181232
Molecular formula	C19H13Cl2N3O2S
IUPAC name	[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
Molecular weight	418.292
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.6
Synonyms	BDBM50399943
Inchi Key	BTGSXBIRMLXHTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H13Cl2N3O2S/c20-12-5-6-14(21)16(9-12)26-18-13(10-22-11-23-18)19(25)24-7-8-27-17-4-2-1-3-15(17)24/h1-6,9-11H,7-8H2
PubChem CID	71462788
ChEMBL	CHEMBL2181232
IUPHAR	N/A
BindingDB	50399943
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	164.0 nM	PMID23148522	BindingDB,ChEMBL

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