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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL3809556
Molecular formula	C29H19Cl2N3O3
IUPAC name	5-chloro-3-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
Molecular weight	528.389
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	7.0
Synonyms	BDBM50172343
Inchi Key	NNGUADDTNRXMDU-VFBBEJETSA-N
Inchi ID	InChI=1S/C29H19Cl2N3O3/c30-19-8-12-25-24(15-19)23(28(34-25)29(36)37)11-13-27(35)33-22-3-1-2-17(14-22)4-9-21-10-6-18-5-7-20(31)16-26(18)32-21/h1-16,34H,(H,33,35)(H,36,37)/b9-4+,13-11+
PubChem CID	127043241
ChEMBL	CHEMBL3809556
IUPHAR	N/A
BindingDB	50172343
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	<100000.0 nM	PMID26985325	BindingDB,ChEMBL

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