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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	Cysteinyl leukotriene receptor 2
Species	Homo sapiens (Human)
Gene	CYSLTR2
Synonym	CysLTR2 CysLT2 receptor LTC4 HPN321 hGPCR21 HG57 G-protein coupled receptor HG57 CYSLT2R G-protein coupled receptor GPCR21 [ Show all ]
Disease	Unspecified Asthma
Length	346
Amino acid sequence	MERKFMSLQPSISVSEMEPNGTFSNNNSRNCTIENFKREFFPIVYLIIFFWGVLGNGLSIYVFLQPYKKSTSVNVFMLNLAISDLLFISTLPFRADYYLRGSNWIFGDLACRIMSYSLYVNMYSSIYFLTVLSVVRFLAMVHPFRLLHVTSIRSAWILCGIIWILIMASSIMLLDSGSEQNGSVTSCLELNLYKIAKLQTMNYIALVVGCLLPFFTLSICYLLIIRVLLKVEVPESGLRVSHRKALTTIIITLIIFFLCFLPYHTLRTVHLTTWKVGLCKDRLHKALVITLALAAANACFNPLLYYFAGENFKDRLKSALRKGHPQKAKTKCVFPVSVWLRKETRV
UniProt	Q9NS75
Protein Data Bank	N/A
GPCR-HGmod model	Q9NS75
3D structure model	This predicted structure model is from GPCR-EXP Q9NS75.
BioLiP	N/A
Therapeutic Target Database	T74238
ChEMBL	CHEMBL4330
IUPHAR	270
DrugBank	BE0000099

Ligand

Name	CHEMBL3809230
Molecular formula	C29H20ClN3O3
IUPAC name	3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
Molecular weight	493.947
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	6.4
Synonyms	BDBM50172348
Inchi Key	IDMBBLNHFYTANN-CCQVQAEASA-N
Inchi ID	InChI=1S/C29H20ClN3O3/c30-20-11-9-19-10-13-21(31-26(19)17-20)12-8-18-4-3-5-22(16-18)32-27(34)15-14-24-23-6-1-2-7-25(23)33-28(24)29(35)36/h1-17,33H,(H,32,34)(H,35,36)/b12-8+,15-14+
PubChem CID	127043050
ChEMBL	CHEMBL3809230
IUPHAR	N/A
BindingDB	50172348
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	58000.0 nM	PMID26985325	BindingDB,ChEMBL

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