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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.
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GPCR

Name	C-X-C chemokine receptor type 3
Species	Mus musculus (Mouse)
Gene	Cxcr3
Synonym	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 MigR [ Show all ]
Disease	N/A for non-human GPCRs
Length	367
Amino acid sequence	MYLEVSERQVLDASDFAFLLENSTSPYDYGENESDFSDSPPCPQDFSLNFDRTFLPALYSLLFLLGLLGNGAVAAVLLSQRTALSSTDTFLLHLAVADVLLVLTLPLWAVDAAVQWVFGPGLCKVAGALFNINFYAGAFLLACISFDRYLSIVHATQIYRRDPRVRVALTCIVVWGLCLLFALPDFIYLSANYDQRLNATHCQYNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRFRAMRLVVVVVAAFAVCWTPYHLVVLVDILMDVGVLARNCGRESHVDVAKSVTSGMGYMHCCLNPLLYAFVGVKFREQMWMLFTRLGRSDQRGPQRQPSSSRRESSWSETTEASYLGL
UniProt	O88410
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5200
IUPHAR	N/A
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	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 355CGR2CBL 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 AKOS030526817 SCHEMBL335753 (-)-(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 AMG487 HY-15319 ZINC3842037 473719-41-4 BDBM50211114 NCGC00378587-01 CHEMBL397983 UNII-355CGR2CBL (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 B3266 KB-74651 [ 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	1900.0 nM	PMID22130135	BindingDB,ChEMBL

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