Reaction Details Report a problem with these data
Target
Cysteinyl leukotriene receptor 1
Ligand
BDBM50104919
Substrate
n/a
Meas. Tech.
ChEMBL_1506309 (CHEMBL3599287)
IC50
4.3±n/a nM
Citation
 Itadani, S; Yashiro, K; Aratani, Y; Sekiguchi, T; Kinoshita, A; Moriguchi, H; Ohta, N; Takahashi, S; Ishida, A; Tajima, Y; Hisaichi, K; Ima, M; Ueda, J; Egashira, H; Sekioka, T; Kadode, M; Yonetomi, Y; Nakao, T; Inoue, A; Nomura, H; Kitamine, T; Fujita, M; Nabe, T; Yamaura, Y; Matsumura, N; Imagawa, A; Nakayama, Y; Takeuchi, J; Ohmoto, K Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem 58:6093-113 (2015) [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:
BDBM50104919
Synonyms:
CHEMBL3597632
Type:
Small organic molecule
Emp. Form.:
C35H32F5NO5
Mol. Mass.:
641.6243
SMILES:
Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: