Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 1/2
Ligand
BDBM50228311
Substrate
n/a
Meas. Tech.
ChEMBL_52049 (CHEMBL666435)
IC50
4000±n/a nM
Citation
 Cohen, N; Weber, G; Banner, BL; Lopresti, RJ; Schaer, B; Focella, A; Zenchoff, GB; Chiu, AM; Todaro, L; O'Donnell, M 3,4-Dihydro-2H-1-benzopyran-2-carboxylic acids and related compounds as leukotriene antagonists. J Med Chem 32:1842-60 (1989) [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:
BDBM50228311
Synonyms:
CHEMBL53333
Type:
Small organic molecule
Emp. Form.:
C33H42O8
Mol. Mass.:
566.6818
SMILES:
CCCc1c(O)c(ccc1OCCCCCOc1cc2OC3(CCC(CC3)C(O)=O)CCc2cc1C(C)=O)C(C)=O |(11.43,-34.65,;11.43,-33.09,;12.75,-32.34,;12.75,-30.8,;11.43,-30.03,;10.08,-30.8,;11.43,-28.49,;12.75,-27.7,;14.1,-28.47,;14.1,-30.03,;15.43,-30.8,;16.76,-30.01,;18.11,-30.78,;19.42,-30.01,;20.77,-30.78,;22.1,-30.01,;23.43,-30.78,;24.77,-30,;26.09,-30.78,;27.43,-30,;28.75,-30.75,;30.07,-29.98,;30.06,-31.52,;31.38,-32.29,;32.7,-31.54,;32.72,-30,;31.39,-29.21,;34.04,-32.32,;35.39,-31.55,;34.02,-33.86,;30.07,-28.44,;28.75,-27.67,;27.41,-28.46,;26.06,-27.7,;24.75,-28.47,;23.4,-27.7,;22.08,-28.49,;23.4,-26.16,;10.08,-27.72,;8.77,-28.49,;10.08,-26.18,)|
Structure:
Search PDB for entries with ligand similarity: