Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 1/2
Ligand
BDBM50216211
Substrate
n/a
Meas. Tech.
ChEMBL_99858 (CHEMBL706928)
IC50
0.500000±n/a nM
Citation
 Guay, D; Gauthier, JY; Dufresne, C; Jones, TR; McAuliffe, M; McFarlane, C; Metters, KM; Prasit, P; Rochette, C; Roy, P; Sawyer, N; Zamboni, R A series of non-quinoline cysLT1 receptor antagonists: SAR study on pyridyl analogs of Singulair. Bioorg Med Chem Lett 8:453-8 (1999) [PubMed]  Article 
Target
Name:
Cysteinyl leukotriene receptor 1/2
Synonyms:
Cysteinyl leukotriene receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 98640
Components:
This complex has 2 components.
Component 1
Name:
Cysteinyl leukotriene receptor 1
Synonyms:
CLTR1_HUMAN | CYSLT1 | CYSLTR1 | Cysteinyl leukotriene D4 receptor | Cysteinyl leukotriene receptor | Cysteinyl leukotriene receptor 1 | HG55 | HMTMF81 | LTD4 receptor | Leukotriene Cysteinyl 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
38565.16
Organism:
Homo sapiens (Human)
Description:
Leukotriene Cysteinyl 1 CYSLTR1 HUMAN::Q9Y271
Residue:
337
Sequence:
MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYTMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV
  
Component 2
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:
BDBM50216211
Synonyms:
CHEMBL143597
Type:
Small organic molecule
Emp. Form.:
C35H43NO3S
Mol. Mass.:
557.786
SMILES:
CCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Structure:
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