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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL424938
Molecular formula	C11H10O4S
IUPAC name	5-methyl-5-(5-methylthiophen-3-yl)-4-oxofuran-2-carboxylic acid
Molecular weight	238.257
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.8
Synonyms	(-)-5-methyl-5-(5-methyl-thiophen-3-yl)-4-oxo-4,5-dihydro-furan-2-carboxylic acid 5-methyl-5-(5-methylthiophen-3-yl)-4-oxo-4,5-dihydrofuran-2-carboxylic acid GTPL1599 BDBM50208135 compound 5aj [PMID: 17358052] 5-methyl-5-(5-methylthiophen-3-yl)-4-oxofuran-2-carboxylic acid SCHEMBL3100833 (+)-5-methyl-5-(5-methyl-thiophen-3-yl)-4-oxo-4,5-dihydro-furan-2-carboxylic acid 5-methyl-5-(5-methyl-thiophen-3-yl)-4-oxo-4,5-dihydro-furan-2-carboxylic acid D0J7LY [ Show all ]
Inchi Key	NNWGOUJBCKZULC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H10O4S/c1-6-3-7(5-16-6)11(2)9(12)4-8(15-11)10(13)14/h3-5H,1-2H3,(H,13,14)
PubChem CID	11436345
ChEMBL	CHEMBL424938
IUPHAR	1599
BindingDB	50208135
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	180.0 nM	PMID17358052	BindingDB,ChEMBL
EC50	199.526 nM	PMID17358052	IUPHAR
EC50	5000.0 nM	PMID17358052	ChEMBL

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