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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.
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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	CHEMBL2435914
Molecular formula	C25H15F7N2O3S2
IUPAC name	N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]thiophene-3-carboxamide
Molecular weight	588.515
Hydrogen bond acceptor	12
Hydrogen bond donor	0
XlogP	6.1
Synonyms	BDBM50441395
Inchi Key	KYEYYPTUJSBZIP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H15F7N2O3S2/c26-22-4-2-1-3-21(22)20-5-7-33-12-16(20)13-34(23(35)15-6-8-38-14-15)39(36,37)19-10-17(24(27,28)29)9-18(11-19)25(30,31)32/h1-12,14H,13H2
PubChem CID	73353937
ChEMBL	CHEMBL2435914
IUPHAR	N/A
BindingDB	50441395
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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	146.0 %	PMID24007860	ChEMBL
EC50	1090.0 nM	PMID24007860	BindingDB,ChEMBL

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