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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	MLS000701097
Molecular formula	C25H26BrN3O3
IUPAC name	N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]benzamide
Molecular weight	496.405
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BRD-K57480971-001-05-5 N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]benzamide cid_6072045 SMR000225046 N-[(E)-1-[5-(4-bromophenyl)-2-furanyl]-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]benzamide AC1O1G7A N-[(E)-2-[5-(4-bromophenyl)-2-furyl]-1-[3-(dimethylamino)propylcarbamoyl]vinyl]benzamide HMS2547N14 N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-[3-(dimethylamino)propylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide BDBM61617 CHEMBL1583901 N-[2-[5-(4-bromophenyl)-2-furyl]-1-({[3-(dimethylamino)propyl]amino}carbonyl)vinyl]benzamide [ Show all ]
Inchi Key	CELHVNGSELGNMX-OQKWZONESA-N
Inchi ID	InChI=1S/C25H26BrN3O3/c1-29(2)16-6-15-27-25(31)22(28-24(30)19-7-4-3-5-8-19)17-21-13-14-23(32-21)18-9-11-20(26)12-10-18/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,27,31)(H,28,30)/b22-17+
PubChem CID	6072045
ChEMBL	CHEMBL1583901
IUPHAR	N/A
BindingDB	61617
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<32000.0 nM	PubChem BioAssay data set	ChEMBL
IC50	32000.0 nM	N/A	BindingDB

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