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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	CHEMBL517024
Molecular formula	C23H29N3O3S
IUPAC name	(1S,4R)-1-[(4-isoquinolin-3-ylpiperazin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight	427.563
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.0
Synonyms	BDBM50412582
Inchi Key	AZQCPPQIWMOIQD-AUSIDOKSSA-N
Inchi ID	InChI=1S/C23H29N3O3S/c1-22(2)19-7-8-23(22,20(27)14-19)16-30(28,29)26-11-9-25(10-12-26)21-13-17-5-3-4-6-18(17)15-24-21/h3-6,13,15,19H,7-12,14,16H2,1-2H3/t19-,23-/m1/s1
PubChem CID	44570515
ChEMBL	CHEMBL517024
IUPHAR	N/A
BindingDB	50412582
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	15848.9 nM	PMID19014886	BindingDB,ChEMBL

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