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GLASS

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GPCR

Name	G-protein coupled receptor 35
Species	Homo sapiens (Human)
Gene	GPR35
Synonym	G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor
Disease	N/A
Length	309
Amino acid sequence	MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
UniProt	Q9HC97
Protein Data Bank	N/A
GPCR-HGmod model	Q9HC97
3D structure model	This predicted structure model is from GPCR-EXP Q9HC97.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293267
IUPHAR	102
DrugBank	BE0005562

Ligand

Name	CHEMBL2392177
Molecular formula	C19H14BrNO7
IUPAC name	6-bromo-8-[(3,4-dimethoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
Molecular weight	448.225
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	BDBM50436004
Inchi Key	YXPZMXSVNGLVQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14BrNO7/c1-26-14-4-3-9(5-15(14)27-2)18(23)21-12-7-10(20)6-11-13(22)8-16(19(24)25)28-17(11)12/h3-8H,1-2H3,(H,21,23)(H,24,25)
PubChem CID	71733846
ChEMBL	CHEMBL2392177
IUPHAR	N/A
BindingDB	50436004
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	425.0 nM	PMID23713606	BindingDB,ChEMBL
EC50	426.58 nM	PMID23713606	ChEMBL
EC50	427.0 nM	PMID23713606	BindingDB
EC50	628.0 nM	PMID23713606	BindingDB,ChEMBL
Emax	101.0 %	PMID23713606	ChEMBL
Emax	102.0 %	PMID23713606	ChEMBL
Ki	228.0 nM	PMID23888932	BindingDB,ChEMBL

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