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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-0435540.0001
Molecular formula	C27H36N4O3S
IUPAC name	[4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
Molecular weight	496.67
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.9
Synonyms	[4-(2-methylphenyl)-1-piperazinyl]-[5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methanone [4-(o-tolyl)piperazino]-(5-piperidinosulfonyl-2-pyrrolidino-phenyl)methanone 1-(2-methylphenyl)-4-[5-(piperidine-1-sulfonyl)-2-(pyrrolidin-1-yl)benzoyl]piperazine MCULE-5954435351 Z28891365 AKOS034070356 [4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)methanone CHEMBL1709725 ZINC12534511 BDBM68314 [4-(2-methylphenyl)piperazin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone cid_17563969 MolPort-005-775-448 931599-26-7 [ Show all ]
Inchi Key	DVXLIZQMENMCFX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H36N4O3S/c1-22-9-3-4-10-25(22)29-17-19-30(20-18-29)27(32)24-21-23(11-12-26(24)28-13-7-8-14-28)35(33,34)31-15-5-2-6-16-31/h3-4,9-12,21H,2,5-8,13-20H2,1H3
PubChem CID	17563969
ChEMBL	CHEMBL1709725
IUPHAR	N/A
BindingDB	68314
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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