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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL2181236
Molecular formula	C23H21Cl2N3O2
IUPAC name	[4-(2,5-dichlorophenoxy)pyridin-3-yl]-(4-propyl-2,3-dihydroquinoxalin-1-yl)methanone
Molecular weight	442.34
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.4
Synonyms	BDBM50399947
Inchi Key	KPYYZMLWXHSKDH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21Cl2N3O2/c1-2-11-27-12-13-28(20-6-4-3-5-19(20)27)23(29)17-15-26-10-9-21(17)30-22-14-16(24)7-8-18(22)25/h3-10,14-15H,2,11-13H2,1H3
PubChem CID	71459276
ChEMBL	CHEMBL2181236
IUPHAR	N/A
BindingDB	50399947
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	76.0 nM	PMID23148522	BindingDB,ChEMBL

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