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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	C-X-C chemokine receptor type 3
Species	Homo sapiens (Human)
Gene	CXCR3
Synonym	MigR IP-10 receptor Interferon-inducible protein 10 receptor GPR9 G protein-coupled receptor 9 Cxcr3 CXCR-3 CXC-R3 CKR-L2 chemokine (C-X-C motif) receptor 3 CD183 [ Show all ]
Disease	Inflammatory disease Autoimmune diabetes Inflammatory disorder Rheumatoid arthritis Psoriatic disorder
Length	368
Amino acid sequence	MVLEVSDHQVLNDAEVAALLENFSSSYDYGENESDSCCTSPPCPQDFSLNFDRAFLPALYSLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPLWAVDAAVQWVFGSGLCKVAGALFNINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTPYHLVVLVDILMDLGALARNCGRESRVDVAKSVTSGLGYMHCCLNPLLYAFVGVKFRERMWMLLLRLGCPNQRGLQRQPSSSRRDSSWSETSEASYSGL
UniProt	P49682
Protein Data Bank	N/A
GPCR-HGmod model	P49682
3D structure model	This predicted structure model is from GPCR-EXP P49682.
BioLiP	N/A
Therapeutic Target Database	T25315
ChEMBL	CHEMBL4441
IUPHAR	70
DrugBank	N/A

Ligand

Name	CHEMBL3898394
Molecular formula	C27H31ClN2O5
IUPAC name	3-(4-chlorophenyl)-3-[cyclobutyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methylphenyl]methyl]amino]propanoic acid
Molecular weight	499.004
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.3
Synonyms	BDBM249640 SCHEMBL15534566 US9447038, 68
Inchi Key	AJOMCHZZJNMEHT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31ClN2O5/c1-18-15-19(5-10-24(18)35-14-13-29-25(31)11-12-26(29)32)17-30(22-3-2-4-22)23(16-27(33)34)20-6-8-21(28)9-7-20/h5-10,15,22-23H,2-4,11-14,16-17H2,1H3,(H,33,34)
PubChem CID	90015039
ChEMBL	CHEMBL3898394
IUPHAR	N/A
BindingDB	249640
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	118.0 nM	PMID27789141	BindingDB,ChEMBL

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