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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	Mus musculus (Mouse)
Gene	Gpbar1
Synonym	membrane-type receptor for bile acids M-BAR hGPCR19 GPR131 GPCR19 GPBAR1 GPBA receptor G protein-coupled bile acid receptor 1 BG37 TGR5 [ Show all ]
Disease	N/A for non-human GPCRs
Length	329
Amino acid sequence	MMTPNSTELSAIPMGVLGLSLALASLIVIANLLLALGIALDRHLRSPPAGCFFLSLLLAGLLTGLALPMLPGLWSRNHQGYWSCLLLHLTPNFCFLSLLANLLLVHGERYMAVLQPLRPHGSVRLALFLTWVSSLFFASLPALGWNHWSPDANCSSQAVFPAPYLYLEVYGLLLPAVGATALLSVRVLATAHRQLCEIRRLERAVCRDVPSTLARALTWRQARAQAGATLLFLLCWGPYVATLLLSVLAYERRPPLGPGTLLSLISLGSTSAAAVPVAMGLGDQRYTAPWRTAAQRCLRVLRGRAKRDNPGPSTAYHTSSQCSIDLDLN
UniProt	Q80SS6
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1255150
IUPHAR	37
DrugBank	N/A

Ligand

Name	CHEMBL1257381
Molecular formula	C23H19BrN2O2S
IUPAC name	3-[[2-(4-bromophenyl)ethylamino]methyl]-2-thiophen-3-ylquinoline-7-carboxylic acid
Molecular weight	467.381
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.8
Synonyms	BDBM50327536 KFUJPWYOARIOCE-UHFFFAOYSA-N 3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl)quinoline-7-carboxylic acid SCHEMBL4741346
Inchi Key	KFUJPWYOARIOCE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H19BrN2O2S/c24-20-5-1-15(2-6-20)7-9-25-13-19-11-16-3-4-17(23(27)28)12-21(16)26-22(19)18-8-10-29-14-18/h1-6,8,10-12,14,25H,7,9,13H2,(H,27,28)
PubChem CID	52949831
ChEMBL	CHEMBL1257381
IUPHAR	N/A
BindingDB	50327536
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID20801037	BindingDB,ChEMBL

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