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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	CHEMBL2205710
Molecular formula	C18H24FN
IUPAC name	1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
Molecular weight	273.395
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.9
Synonyms	BDBM50400965
Inchi Key	APCTUEIYSPKDSY-RDJZCZTQSA-N
Inchi ID	InChI=1S/C18H24FN/c1-18(2)15-7-6-14(17(18)10-15)12-20(3)11-13-4-8-16(19)9-5-13/h4-6,8-9,15,17H,7,10-12H2,1-3H3/t15-,17-/m0/s1
PubChem CID	71461332
ChEMBL	CHEMBL2205710
IUPHAR	N/A
BindingDB	50400965
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	6309.57 nM	PMID21570852	BindingDB,ChEMBL

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