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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	SCHEMBL1389953
Molecular formula	C28H31N3O3
IUPAC name	1-[4-[(1S,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)propyl]phenyl]piperidine-4-carboxylic acid
Molecular weight	457.574
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.0
Synonyms	N/A
Inchi Key	FYRQRNSTHCHLNF-MMZFVREHSA-N
Inchi ID	InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26,34H,12-13,15-16,18H2,1-2H3,(H,32,33)/b30-27+/t26-/m0/s1
PubChem CID	136166936
ChEMBL	CHEMBL2407931
IUPHAR	N/A
BindingDB	N/A
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	23.0 nM	PMID23831134	ChEMBL
EC50	750.0 nM	PMID23831134	ChEMBL
Efficacy	83.0 %	PMID23831134	ChEMBL
Efficacy	300.0 %	PMID23831134	ChEMBL

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