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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	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	CHEMBL2392141
Molecular formula	C17H11FN2O3S
IUPAC name	4-[(Z)-[2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Molecular weight	342.344
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.7
Synonyms	4-[[2-[(2-Fluorophenyl)amino]-4-oxo-5(4H)-thiazolylidene]methyl]benzoic acid TC-G 1001 AC1NY5NL NCGC00387206-01 4-[(Z)-{(2Z)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]benzoic acid BAS 02301157 ST50155062 494191-73-0 ZINC33932405 4-({2-[(2-fluorophenyl)azamethylene]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)be nzoic acid AKOS000612789 SR-01000311957 4-[2-(2-Fluoro-phenylimino)-4-oxo-thiazolidin-5-ylidenemethyl]-benzoic acid BDBM50436010 STL305283 MolPort-035-765-863 4-[(Z)-[2-(2-fluoroanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]benzoic acid AKOS024458393 SR-01000311957-1 [ Show all ]
Inchi Key	SYCKPHBALHXMIR-ZROIWOOFSA-N
Inchi ID	InChI=1S/C17H11FN2O3S/c18-12-3-1-2-4-13(12)19-17-20-15(21)14(24-17)9-10-5-7-11(8-6-10)16(22)23/h1-9H,(H,22,23)(H,19,20,21)/b14-9-
PubChem CID	135468531
ChEMBL	CHEMBL2392141
IUPHAR	N/A
BindingDB	50436010
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	3.2 nM	PMID23888932	BindingDB,ChEMBL
EC50	25.7 nM	PMID23713606	ChEMBL
EC50	26.0 nM	PMID23713606	BindingDB,ChEMBL

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