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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1681858
Molecular formula	C24H29Cl2N5O2
IUPAC name	5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]-2-oxopiperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
Molecular weight	490.429
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM50337226 5-chloro-6-((3S)-4-(1-(4-chlorobenzyl)-2-oxopiperidin-4-yl)-3-methylpiperazin-1-yl)-N-methylnicotinamide
Inchi Key	ASJOUHJGEOKEFO-DJZRFWRSSA-N
Inchi ID	InChI=1S/C24H29Cl2N5O2/c1-16-14-30(23-21(26)11-18(13-28-23)24(33)27-2)9-10-31(16)20-7-8-29(22(32)12-20)15-17-3-5-19(25)6-4-17/h3-6,11,13,16,20H,7-10,12,14-15H2,1-2H3,(H,27,33)/t16-,20?/m0/s1
PubChem CID	53318561
ChEMBL	CHEMBL1681858
IUPHAR	N/A
BindingDB	50337226
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	7000.0 nM	PMID21277198	BindingDB,ChEMBL

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