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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	Hydroxycarboxylic acid receptor 3
Species	Homo sapiens (Human)
Gene	HCAR3
Synonym	G-protein coupled receptor 109B Nicotinic acid receptor 2 Nic2 NIACR2 Niacin receptor 2 Low affinity nicotinic acid receptor G protein-coupled receptor 109B G-protein coupled receptor HM74B G-protein coupled receptor HM74 HCA3 receptor [ Show all ]
Disease	N/A
Length	387
Amino acid sequence	MNRHHLQDHFLEIDKKNCCVFRDDFIAKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFVMDYYVRRSDWKFGDIPCRLVLFMFAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNWTAAIISCLLWGITVGLTVHLLKKKLLIQNGTANVCISFSICHTFRWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIHIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKITGEPDNNRSTSVELTGDPNKTRGAPEALIANSGEPWSPSYLGPTSNNHSKKGHCHQEPASLEKQLGCCIE
UniProt	P49019
Protein Data Bank	N/A
GPCR-HGmod model	P49019
3D structure model	This predicted structure model is from GPCR-EXP P49019.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4421
IUPHAR	313
DrugBank	BE0000836

Ligand

Name	CHEMBL221282
Molecular formula	C10H7ClO4S
IUPAC name	5-(5-chlorothiophen-3-yl)-5-methyl-4-oxofuran-2-carboxylic acid
Molecular weight	258.672
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.3
Synonyms	(+)-5-(5-chloro-thiophen-3-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid SCHEMBL3100583 5-(5-chlorothiophen-3-yl)-5-methyl-4-oxo-4,5-dihydrofuran-2-carboxylic acid (-)-5-(5-chloro-thiophen-3-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid 5-(5-chloro-thiophen-3-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid BDBM50208122 [ Show all ]
Inchi Key	JPZPZVVRVYTIHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H7ClO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
PubChem CID	11379903
ChEMBL	CHEMBL221282
IUPHAR	N/A
BindingDB	50208122
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	690.0 nM	PMID17358052	ChEMBL
EC50	1700.0 nM	PMID17358052	BindingDB,ChEMBL
EC50	1720.0 nM	PMID18983141	BindingDB,ChEMBL
EC50	16000.0 nM	PMID17358052	ChEMBL

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