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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	CHEMBL3342954
Molecular formula	C32H34N2O8
IUPAC name	4-(5-carboxypentanoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Molecular weight	574.63
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.3
Synonyms	BDBM50033084 SCHEMBL3099345
Inchi Key	GDNFOLXYEODGCP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H34N2O8/c35-28(14-4-5-15-29(36)37)34-21-27(32(39)40)42-30-25(12-8-13-26(30)34)33-31(38)23-16-18-24(19-17-23)41-20-7-6-11-22-9-2-1-3-10-22/h1-3,8-10,12-13,16-19,27H,4-7,11,14-15,20-21H2,(H,33,38)(H,36,37)(H,39,40)
PubChem CID	23124629
ChEMBL	CHEMBL3342954
IUPHAR	N/A
BindingDB	50033084
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	890.0 nM	PMID25408836	BindingDB,ChEMBL

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