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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	CHEMBL2336213
Molecular formula	C22H22Cl2N4O2
IUPAC name	[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
Molecular weight	445.344
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.5
Synonyms	BDBM50429147
Inchi Key	CIOWDFAFTWBSLR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22Cl2N4O2/c1-14-20(22(27(2)26-14)30-19-9-8-16(23)12-17(19)24)21(29)28-11-4-3-7-18(28)15-6-5-10-25-13-15/h5-6,8-10,12-13,18H,3-4,7,11H2,1-2H3
PubChem CID	71561368
ChEMBL	CHEMBL2336213
IUPHAR	N/A
BindingDB	50429147
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	12.0 nM	PMID23337601	BindingDB,ChEMBL
EC50	549.0 nM	PMID23337601	BindingDB,ChEMBL

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