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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	Hydroxycarboxylic acid receptor 2
Species	Homo sapiens (Human)
Gene	HCAR2
Synonym	G protein-coupled receptor 109A PUMAG Nicotinic acid receptor Nic1 Niacr1 Niacin receptor 1 G-protein coupled receptor 109A G-protein coupled receptor HM74A HCA2 receptor [ Show all ]
Disease	Type 2 diabetes Hyperlipidaemia Major depressive disorder Cardiovascular disorder Atherosclerosis Arteriosclerosis Acute ischemic stroke [ Show all ]
Length	363
Amino acid sequence	MNRHHLQDHFLEIDKKNCCVFRDDFIVKVLPPVLGLEFIFGLLGNGLALWIFCFHLKSWKSSRIFLFNLAVADFLLIICLPFLMDNYVRRWDWKFGDIPCRLMLFMLAMNRQGSIIFLTVVAVDRYFRVVHPHHALNKISNRTAAIISCLLWGITIGLTVHLLKKKMPIQNGGANLCSSFSICHTFQWHEAMFLLEFFLPLGIILFCSARIIWSLRQRQMDRHAKIKRAITFIMVVAIVFVICFLPSVVVRIRIFWLLHTSGTQNCEVYRSVDLAFFITLSFTYMNSMLDPVVYYFSSPSFPNFFSTLINRCLQRKMTGEPDNNRSTSVELTGDPNKTRGAPEALMANSGEPWSPSYLGPTSP
UniProt	Q8TDS4
Protein Data Bank	N/A
GPCR-HGmod model	Q8TDS4
3D structure model	This predicted structure model is from GPCR-EXP Q8TDS4.
BioLiP	N/A
Therapeutic Target Database	T00864
ChEMBL	CHEMBL3785
IUPHAR	312
DrugBank	BE0000635

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	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 (-)-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 [ 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	<20000.0 nM	PMID17358052	ChEMBL
EC50	240.0 nM	PMID17358052	BindingDB,ChEMBL
EC50	370.0 nM	PMID17358052	ChEMBL

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