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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	CHEMBL568374
Molecular formula	C32H50O4
IUPAC name	(1'R,3'aS,5'aR,5'bR,7'aR,11'aR,11'bR,13'aR,13'bR)-5'a,5'b,8',8',11'a-pentamethyl-1'-prop-1-en-2-ylspiro[1,3-dioxolane-2,9'-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene]-3'a-carboxylic acid
Molecular weight	498.748
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	8.3
Synonyms	BDBM50303451 1-Isopropenyl-5alpha,5beta,8,8,11alpha-pentamethyloctadecahydrospiro-[cyclopenta[a]chrysene-9,20[1,3]dioxolane]-3alpha(1H)-carboxylicAcid
Inchi Key	BNIDYMLULUVBAP-SRACOBAWSA-N
Inchi ID	InChI=1S/C32H50O4/c1-20(2)21-10-13-31(26(33)34)16-15-29(6)22(25(21)31)8-9-24-28(5)14-17-32(35-18-19-36-32)27(3,4)23(28)11-12-30(24,29)7/h21-25H,1,8-19H2,2-7H3,(H,33,34)/t21-,22+,23-,24+,25+,28-,29+,30+,31-/m0/s1
PubChem CID	45485281
ChEMBL	CHEMBL568374
IUPHAR	N/A
BindingDB	50303451
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	<10000.0 nM	PMID19911773	BindingDB,ChEMBL
Efficacy	0.0 %	PMID19911773	ChEMBL

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