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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	CHEMBL2435945
Molecular formula	C27H20F6N2O2
IUPAC name	N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenylpyridin-3-yl)methyl]furan-2-carboxamide
Molecular weight	518.459
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	6.5
Synonyms	BDBM50441391
Inchi Key	DFLNKQIQSDHWAQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H20F6N2O2/c1-17(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)35(25(36)24-8-5-11-37-24)16-20-15-34-10-9-23(20)18-6-3-2-4-7-18/h2-15,17H,16H2,1H3
PubChem CID	73353943
ChEMBL	CHEMBL2435945
IUPHAR	N/A
BindingDB	50441391
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	119.0 %	PMID24007860	ChEMBL
EC50	1180.0 nM	PMID24007860	BindingDB,ChEMBL

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