Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 1/2
Ligand
BDBM50006812
Substrate
n/a
Meas. Tech.
ChEMBL_52221 (CHEMBL663971)
Ki
1000±n/a nM
Citation
 Galemmo, RA; Johnson, WH; Learn, KS; Lee, TD; Huang, FC; Campbell, HF; Youssefyeh, R; O'Rourke, SV; Schuessler, G; Sweeney, DM The development of a novel series of (quinolin-2-ylmethoxy)phenyl-containing compounds as high-affinity leukotriene receptor antagonists. 3. Structural variation of the acidic side chain to give antagonists of enhanced potency. J Med Chem 33:2828-41 (1990) [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:
BDBM50006812
Synonyms:
7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-4H-chromene-2-carboxylic acid(FPL 55,712) | 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid | 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid (FPL55712) | 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid(FPL 55712) | 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid(FPL-55712) | 7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-4H-chromene-2-carboxylic acid;FPL-55,712 | CHEMBL267475
Type:
Small organic molecule
Emp. Form.:
C27H30O9
Mol. Mass.:
498.5217
SMILES:
CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O
Structure:
Search PDB for entries with ligand similarity: