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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	CHEMBL1085509
Molecular formula	C22H16F2N6O2S
IUPAC name	4-cyano-N-[(2-fluorophenyl)methyl]-N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
Molecular weight	466.467
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.2
Synonyms	4-cyano-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(2-fluorobenzyl)benzenesulfonamide BDBM50320165 SCHEMBL1170304 4-cyano-N-(2-fluorobenzyl)-N-[3-fluoro-4-(2H-tetrazol-5-yl)benzyl]benzene sulfonamide SCHEMBL12863214 AZUDKTWLENPMEO-UHFFFAOYSA-N [ Show all ]
Inchi Key	AZUDKTWLENPMEO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H16F2N6O2S/c23-20-4-2-1-3-17(20)14-30(33(31,32)18-8-5-15(12-25)6-9-18)13-16-7-10-19(21(24)11-16)22-26-28-29-27-22/h1-11H,13-14H2,(H,26,27,28,29)
PubChem CID	46700871
ChEMBL	CHEMBL1085509
IUPHAR	N/A
BindingDB	50320165
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	192.0 nM	PMID20483605	BindingDB,ChEMBL

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