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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	CHEMBL395314
Molecular formula	C23H33N3O2
IUPAC name	1-(3-acetylphenyl)-3-[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]urea
Molecular weight	383.536
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50198402 1-(3-acetylphenyl)-3-(1-(cyclooctenylmethyl)piperidin-4-yl)urea
Inchi Key	AKAXDXMSNRGJRD-UFWORHAWSA-N
Inchi ID	InChI=1S/C23H33N3O2/c1-18(27)20-10-7-11-22(16-20)25-23(28)24-21-12-14-26(15-13-21)17-19-8-5-3-2-4-6-9-19/h7-8,10-11,16,21H,2-6,9,12-15,17H2,1H3,(H2,24,25,28)/b19-8+
PubChem CID	44426913
ChEMBL	CHEMBL395314
IUPHAR	N/A
BindingDB	50198402
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	637.0 nM	PMID17097877	BindingDB,ChEMBL

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