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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL403491
Molecular formula	C28H30F4N4O3S
IUPAC name	N-[(1R)-1-[1-(4-cyanophenyl)-4-propan-2-ylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
Molecular weight	578.627
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	4.6
Synonyms	BDBM50371509 SCHEMBL13151153
Inchi Key	BIOIJKGVXPTLRF-LJQANCHMSA-N
Inchi ID	InChI=1S/C28H30F4N4O3S/c1-5-40(38,39)13-12-35(26(37)15-21-8-11-24(29)23(14-21)28(30,31)32)19(4)27-34-25(18(2)3)17-36(27)22-9-6-20(16-33)7-10-22/h6-11,14,17-19H,5,12-13,15H2,1-4H3/t19-/m1/s1
PubChem CID	44455542
ChEMBL	CHEMBL403491
IUPHAR	N/A
BindingDB	50371509
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	54.0 nM	PMID18063364	ChEMBL
IC50	2.6 nM	PMID18063364	BindingDB,ChEMBL
IC50	19.0 nM	PMID18063364	BindingDB,ChEMBL

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