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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	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	CHEMBL1077831
Molecular formula	C30H27F7N4O5S
IUPAC name	N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1R)-1-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrido[2,3-d]pyrimidin-2-yl]ethyl]acetamide
Molecular weight	688.618
Hydrogen bond acceptor	14
Hydrogen bond donor	0
XlogP	5.0
Synonyms	SCHEMBL1886168 (R)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(1-(4-oxo-3-(4-(2,2,2-trifluoroethoxy)phenyl)-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)acetamide BDBM50310487 KKZXIEYKPIMYPS-GOSISDBHSA-N (R)-N-(2-Ethanesulfonyl-ethyl)-2-(4-fluoro-3-trifluoromethyl-phenyl)-N-(1-{4-oxo-3-[4-(2,2,2-trifluoro-ethoxy)-phenyl]-3,4-dihydro-pyrido[2,3-d]pyrimidin-2-yl}-ethyl)-acetamide
Inchi Key	KKZXIEYKPIMYPS-GOSISDBHSA-N
Inchi ID	InChI=1S/C30H27F7N4O5S/c1-3-47(44,45)14-13-40(25(42)16-19-6-11-24(31)23(15-19)30(35,36)37)18(2)27-39-26-22(5-4-12-38-26)28(43)41(27)20-7-9-21(10-8-20)46-17-29(32,33)34/h4-12,15,18H,3,13-14,16-17H2,1-2H3/t18-/m1/s1
PubChem CID	45101529
ChEMBL	CHEMBL1077831
IUPHAR	N/A
BindingDB	50310487
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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.0 nM	PMID19632842	BindingDB,ChEMBL

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