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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	CHEMBL3260994
Molecular formula	C26H45NaO6S
IUPAC name	sodium;[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl] sulfate
Molecular weight	508.69
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	None
Synonyms	BDBM50011369
Inchi Key	AZRKCUAZCXBMFI-QCEYTSCOSA-M
Inchi ID	InChI=1S/C26H46O6S.Na/c1-5-18-22-15-17(27)10-12-26(22,4)21-11-13-25(3)19(8-9-20(25)23(21)24(18)28)16(2)7-6-14-32-33(29,30)31;/h16-24,27-28H,5-15H2,1-4H3,(H,29,30,31);/q;+1/p-1/t16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-;/m1./s1
PubChem CID	90655903
ChEMBL	CHEMBL3260994
IUPHAR	N/A
BindingDB	50011369
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	200.0 nM	PMID24387325	BindingDB,ChEMBL
Efficacy	112.0 %	PMID24387325	ChEMBL

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