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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	AMG 487
Molecular formula	C32H28F3N5O4
IUPAC name	N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
Molecular weight	603.602
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	5.2
Synonyms	AMG487 HY-15319 ZINC3842037 (-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamide BDBM50211114 NCGC00378587-01 473719-41-4 CHEMBL397983 UNII-355CGR2CBL B3266 KB-74651 (R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamide Benzeneacetamide, N-((1R)-1-(3-(4-ethoxyphenyl)-3,4-dihydro-4-oxopyrido(2,3-d)pyrimidin-2-yl)ethyl)-N-(3-pyridinylmethyl)-4-(trifluoromethoxy)- SB19744 AMG-487 CS-2662 VUF-10085 BCP23713 N-[(1R)-1-[3-(4-Ethoxyphenyl)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(3-pyridinylmethyl)-4-(trifluoromethoxy)benzeneacetamide 355CGR2CBL SCHEMBL335753 AKOS030526817 [ Show all ]
Inchi Key	WQTKNBPCJKRYPA-OAQYLSRUSA-N
Inchi ID	InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
PubChem CID	24957182
ChEMBL	CHEMBL397983
IUPHAR	N/A
BindingDB	50211114
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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	5.0 nM	PMID17448658, PMID22130135, PMID19632842	BindingDB,ChEMBL
IC50	8.0 nM	PMID17448658, PMID18061451, PMID19631529, PMID22931505	BindingDB,ChEMBL
IC50	8.2 nM	PMID17448658, PMID18061451	BindingDB,ChEMBL
IC50	15.0 nM	PMID17448658, PMID18061451	BindingDB,ChEMBL
IC50	36.0 nM	PMID17448658, PMID18061451	BindingDB,ChEMBL
IC50	49.0 nM	PMID22130135	BindingDB,ChEMBL
IC50	240.0 nM	PMID19632842	BindingDB,ChEMBL
IC50	330.0 nM	PMID18922694	BindingDB,ChEMBL
Ki	39.81 nM	PMID21570852	BindingDB,ChEMBL
Ki	158.49 nM	PMID21570852	BindingDB,ChEMBL
pKb	8.0 -	PMID21570852	ChEMBL

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