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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	CHEMBL584554
Molecular formula	C26H28N4O2
IUPAC name	(6aR,9R)-9-N,9-N-diethyl-7-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7,9-dicarboxamide
Molecular weight	428.536
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50299165 (6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide
Inchi Key	QIPWTYSOANVUKJ-WZONZLPQSA-N
Inchi ID	InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
PubChem CID	45482789
ChEMBL	CHEMBL584554
IUPHAR	N/A
BindingDB	50299165
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	30.0 nM	PMID19783143, PMID21764306	BindingDB,ChEMBL
IC50	200.0 nM	PMID19783143	BindingDB,ChEMBL

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