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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	ACIFRAN
Molecular formula	C12H10O4
IUPAC name	5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
Molecular weight	218.208
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.7
Synonyms	5-methyl-4-oxo-5-phenyl-4,5-dihydro-2-furancarboxylic acid 77103-91-4 Acifran, (+)- AY-25712 CTK8F7568 FP3LLW01BL Reductol UNII-FP3LLW01BL 2-Furancarboxylic acid, 4,5-dihydro-5-methyl-4-oxo-5-phenyl- 5-methyl-4-oxo-5-phenyl-furan-2-carboxylic acid Acifranum [INN-Latin] C-11906 DFDGRKNOFOJBAJ-UHFFFAOYSA-N HMS3268E04 SR-01000597500 (+)-acifran 2-Furancarboxylic acid, 4,5-dihydro-5-methyl-4-oxo-5-phenyl-, (-)- 4,5-Dihydro-5-methyl-4-oxo-5-phenyl-2-furancarboxylic acid 61IZ92GN57 Acifran (USAN/INN) AY 25712 DSSTox_RID_81057 NCGC00025283-01 Tox21_110958_1 (R,S)-4,5-Dihydro-5-methyl-4-oxo-5-phenyl-2-furancarbonsaeure 5-Methyl-4-oxo-5-phenyl-4,5-dihydro-furan-2-carboxylic acid 77103-92-5 Acifran, (-)- BDBM50208138 D02753 FT-0641407 Reductol (TN) 2-Furancarboxylic acid, 4,5-dihydro-5-methyl-4-oxo-5-phenyl-, (+)- 5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid Acifran (+)-form [MI] AKOS022652744 CAS-72420-38-3 DSSTox_CID_25685 LS-70167 SR-01000597500-1 (+-)-4,5-Dihydro-5-methyl-4-oxo-5-phenyl-2-furoic acid 2-Furancarboxylic acid,4,5-dihydro-5-methyl-4-oxo-5-phenyl- 4,5-DIHYDRO-5-METHYL-4-OXO-5-PHENYLFURAN-2-CARBOXYLIC ACID 72420-38-3 Acifran [USAN:INN] AY-25,712 CHEMBL278488 DTXSID9045685 NCGC00025283-02 UNII-61IZ92GN57 5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2-carboxylic acid AC1L1BD7 Acifranum BN0050 D0K1HO GTPL1595 SCHEMBL188221 2-Furancarboxylic acid, 4,5-dihydro-5-methyl-4-oxo-5-phenyl-, (+-)- 2-methyl-2-phenyl-3(2H)furanone-5-carboxylic acid Acifran (-)-form [MI] AN-8738 CC-23734 DSSTox_GSID_45685 MolPort-003-666-847 Tox21_110958 (-)-acifran [ Show all ]
Inchi Key	DFDGRKNOFOJBAJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
PubChem CID	51576
ChEMBL	CHEMBL278488
IUPHAR	1595
BindingDB	50208138
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	>50.0 %	PMID17358052	ChEMBL
EC50	316.0 nM	PMID25737085	ChEMBL
EC50	3000.0 nM	PMID17358052	ChEMBL
EC50	4200.0 nM	PMID18983141, PMID19524438, PMID17358052	BindingDB,ChEMBL
EC50	6309.57 - 19952.6 nM	PMID12522134, PMID16389067, PMID17358052, PMID15929991	IUPHAR
IC50	3000.0 nM	PMID18983141	BindingDB,ChEMBL

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