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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	CHEMBL2181235
Molecular formula	C22H19Cl2N3O2
IUPAC name	[4-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight	428.313
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.9
Synonyms	BDBM50399959
Inchi Key	BBXCEBZWMOSRMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H19Cl2N3O2/c1-2-26-11-12-27(19-6-4-3-5-18(19)26)22(28)16-14-25-10-9-20(16)29-21-13-15(23)7-8-17(21)24/h3-10,13-14H,2,11-12H2,1H3
PubChem CID	71459275
ChEMBL	CHEMBL2181235
IUPHAR	N/A
BindingDB	50399959
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	24.0 nM	PMID23148522	BindingDB,ChEMBL

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