Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 1
Ligand
BDBM50069362
Substrate
n/a
Meas. Tech.
ChEMBL_647615 (CHEMBL1219966)
IC50
25.2±n/a nM
Citation
 Dong, X; Wang, L; Huang, X; Liu, T; Wei, E; Du, L; Yang, B; Hu, Y Pharmacophore identification, synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists. Bioorg Med Chem 18:5519-27 (2010) [PubMed]  Article 
Target
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
  
Inhibitor
Name:
BDBM50069362
Synonyms:
(1-{(R)-1-{3-[(E)-2-(6-Ethyl-5-trifluoromethyl-pyridin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid | (R)-2-(1-((1-(3-(2-(6-ethyl-5-(trifluoromethyl)pyridin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetic acid | CHEMBL143115
Type:
Small organic molecule
Emp. Form.:
C34H38F3NO3S
Mol. Mass.:
597.731
SMILES:
CCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C(F)(F)F
Structure:
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