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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.
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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	CHEMBL1077817
Molecular formula	C34H28F6N4O3
IUPAC name	2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
Molecular weight	654.613
Hydrogen bond acceptor	11
Hydrogen bond donor	0
XlogP	6.5
Synonyms	BDBM50310499 (R)-2-(3,5-bis(trifluoromethyl)phenyl)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)acetamide
Inchi Key	BHIMXMNPLZLBIP-OAQYLSRUSA-N
Inchi ID	InChI=1S/C34H28F6N4O3/c1-3-47-27-12-10-26(11-13-27)44-31(42-29-9-5-4-8-28(29)32(44)46)21(2)43(20-22-7-6-14-41-19-22)30(45)17-23-15-24(33(35,36)37)18-25(16-23)34(38,39)40/h4-16,18-19,21H,3,17,20H2,1-2H3/t21-/m1/s1
PubChem CID	46883297
ChEMBL	CHEMBL1077817
IUPHAR	N/A
BindingDB	50310499
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7.0 nM	PMID19632842	BindingDB,ChEMBL
IC50	17.0 nM	PMID19632842	BindingDB,ChEMBL

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