Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 1
Ligand
BDBM50013920
Substrate
n/a
Meas. Tech.
ChEMBL_1615863 (CHEMBL3857932)
IC50
3.1±n/a nM
Citation
 Talele, TT The"Cyclopropyl Fragment" is a Versatile Player that Frequently Appears in Preclinical/Clinical Drug Molecules. J Med Chem 59:8712-8756 (2016) [PubMed]  Article 
Target
Name:
Cysteinyl leukotriene receptor 1
Synonyms:
CLTR1_CAVPO | CYSLTR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
39007.58
Organism:
GUINEA PIG
Description:
Leukotriene D4 0 GUINEA PIG::Q2NNR5
Residue:
340
Sequence:
MDETGNPTIPPASNNTCYDSIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLVKTYHEKSAFQVYMINLAVADLLCVCTLPLRVAYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNISLVTQKKARLVCIAIWMFVILTSSPFLMANTYKDEKNNTKCFEPPQDNQAKNYVLILHYVSLFIGFIIPFITIIVCYTMIIFTLLKSSMKKNLSSRKRAIGMIIVVTAAFLVSFMPYHIQRTIHLHFLHNKTKPCDSILRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTIRKYSLSSMTYIPKKKTSLPQKGKDICKE
  
Inhibitor
Name:
BDBM50013920
Synonyms:
3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid | 3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-dimethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid | CHEMBL280481 | MK-679 | VERLUKAST
Type:
Small organic molecule
Emp. Form.:
C26H27ClN2O3S2
Mol. Mass.:
515.087
SMILES:
CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Structure:
Search PDB for entries with ligand similarity: