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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	SMR000203542
Molecular formula	C17H16ClNO4
IUPAC name	1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
Molecular weight	333.768
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	CHEMBL1521989 1-[(2-chlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene MolPort-007-551-392 BDBM61613 1-(2-chlorobenzyl)oxy-2-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene cid_12005127 1-[(2-chlorobenzyl)oxy]-2-methoxy-4-[(1Z)-2-nitroprop-1-enyl]benzene MLS000584379 AKOS001597285 ZINC258727 [ Show all ]
Inchi Key	FYIWPEZHWMFQFF-XFXZXTDPSA-N
Inchi ID	InChI=1S/C17H16ClNO4/c1-12(19(20)21)9-13-7-8-16(17(10-13)22-2)23-11-14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3/b12-9-
PubChem CID	12005127
ChEMBL	CHEMBL1521989
IUPHAR	N/A
BindingDB	61613
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	2452.74 nM	N/A	BindingDB
IC50	2452.74 nM	PubChem BioAssay data set	ChEMBL

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