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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS-0433928.0001
Molecular formula	C24H31N3O3S
IUPAC name	[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
Molecular weight	441.59
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	HMS3084G08 [4-(2,3-dimethylphenyl)-1-piperazinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone AKOS005230722 MLS002248314 [4-(2,3-dimethylphenyl)piperazino]-(3-piperidinosulfonylphenyl)methanone CHEMBL1704166 STL292658 MCULE-4358087272 [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone BDBM68297 MolPort-004-059-932 [4-(2,3-dimethylphenyl)piperazino][3-(piperidinosulfonyl)phenyl]methanone cid_2518725 ZINC3400161 AC1M8QYA [4-(2,3-dimethylphenyl)piperazin-1-yl][3-(piperidin-1-ylsulfonyl)phenyl]methanone SMR001315789 [ Show all ]
Inchi Key	DOFHYXBPOKRVPS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31N3O3S/c1-19-8-6-11-23(20(19)2)25-14-16-26(17-15-25)24(28)21-9-7-10-22(18-21)31(29,30)27-12-4-3-5-13-27/h6-11,18H,3-5,12-17H2,1-2H3
PubChem CID	2518725
ChEMBL	CHEMBL1704166
IUPHAR	N/A
BindingDB	68297
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	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<32000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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