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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL2181239
Molecular formula	C23H19Cl2N3O2
IUPAC name	(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyridin-3-yl]methanone
Molecular weight	440.324
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.1
Synonyms	(4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2,5-dichloro-phenoxy)-pyridin-3-yl]-methanone BDBM50399962 GVSOSQXVSIDDOZ-UHFFFAOYSA-N (4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)[4-(2,5-dichloro-phenoxy)-pyridin-3-yl]-methanone SCHEMBL2216480
Inchi Key	GVSOSQXVSIDDOZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H19Cl2N3O2/c24-15-5-8-18(25)22(13-15)30-21-9-10-26-14-17(21)23(29)28-12-11-27(16-6-7-16)19-3-1-2-4-20(19)28/h1-5,8-10,13-14,16H,6-7,11-12H2
PubChem CID	53311869
ChEMBL	CHEMBL2181239
IUPHAR	N/A
BindingDB	50399962
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	18.0 nM	PMID23148522	BindingDB,ChEMBL

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