Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 2
Ligand
BDBM58922
Substrate
n/a
Meas. Tech.
ChEMBL_1579541 (CHEMBL3810887)
IC50
27000±n/a nM
Citation
 Chen, H; Yang, H; Wang, Z; Xie, X; Nan, F Discovery of 3-Substituted 1H-Indole-2-carboxylic Acid Derivatives as a Novel Class of CysLT1 Selective Antagonists. ACS Med Chem Lett 7:335-9 (2016) [PubMed]  Article 
Target
Name:
Cysteinyl leukotriene receptor 2
Synonyms:
CLTR2_HUMAN | CYSLT2 | CYSLT2R | CYSLTR2 | Cysteinyl leukotriene receptor | Cysteinyl leukotriene receptor 2 | Leukotriene Cysteinyl 2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
39657.52
Organism:
Homo sapiens (Human)
Description:
Leukotriene Cysteinyl 2 CYSLTR2 HUMAN::Q9NS75
Residue:
346
Sequence:
MERKFMSLQPSISVSEMEPNGTFSNNNSRNCTIENFKREFFPIVYLIIFFWGVLGNGLSIYVFLQPYKKSTSVNVFMLNLAISDLLFISTLPFRADYYLRGSNWIFGDLACRIMSYSLYVNMYSSIYFLTVLSVVRFLAMVHPFRLLHVTSIRSAWILCGIIWILIMASSIMLLDSGSEQNGSVTSCLELNLYKIAKLQTMNYIALVVGCLLPFFTLSICYLLIIRVLLKVEVPESGLRVSHRKALTTIIITLIIFFLCFLPYHTLRTVHLTTWKVGLCKDRLHKALVITLALAAANACFNPLLYYFAGENFKDRLKSALRKGHPQKAKTKCVFPVSVWLRKETRV
  
Inhibitor
Name:
BDBM58922
Synonyms:
MLS001304727 | MONTELUKAST Na | SMR000469188 | cid_23663996 | sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-oxidanylpropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoate | sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate | sodium;2-[1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetate | sodium;2-[1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetate
Type:
Small organic molecule
Emp. Form.:
C35H35ClNO3S
Mol. Mass.:
585.176
SMILES:
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Structure:
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