Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50043678
Substrate
n/a
Meas. Tech.
ChEMBL_3866 (CHEMBL619382)
IC50
12±n/a nM
Citation
 Lambert-van der Brempt, C; Bruneau, P; Lamorlette, MA; Foster, SJ Conformational analysis of 5-lipoxygenase inhibitors: role of the substituents in chiral recognition and on the active conformations of the (methoxyalkyl)thiazole and methoxytetrahydropyran series. J Med Chem 37:113-24 (1994) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid 5-lipoxygenase
Synonyms:
5-LO | 5-lipoxygenase | Alox5 | Arachidonate 5-lipoxygenase | LOX5_MOUSE
Type:
PROTEIN
Mol. Mass.:
77961.27
Organism:
Mus musculus
Description:
ChEMBL_675639
Residue:
674
Sequence:
MPSYTVTVATGSQWFAGTDDYIYLSLIGSAGCSEKHLLDKAFYNDFERGAVDSYDVTVDEELGEIYLVKIEKRKYWLHDDWYLKYITLKTPHGDYIEFPCYRWITGEGEIVLRDGRAKLARDDQIHILKQHRRKELEARQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQSSWHDFADFEKIFVKISNTISERVKNHWQEDLMFGYQFLNGCNPVLIKRCTALPPKLPVTTEMVECSLERQLSLEQEVQEGNIFIVDYELLDGIDANKTDPCTHQFLAAPICLLYKNLANKIVPIAIQLNQTPGESNPIFLPTDSKYDWLLAKIWVRSSDFHVHQTITHLLRTHLVSEVFGIAMYRQLPAVHPLFKLLVAHVRFTIAINTKAREQLICEYGLFDKANATGGGGHVQMVQRAVQDLTYSSLCFPEAIKARGMDSTEDIPFYFYRDDGLLVWEAIQSFTMEVVSIYYENDQVVEEDQELQDFVKDVYVYGMRGKKASGFPKSIKSREKLSEYLTVVIFTASAQHAAVNFGQYDWCSWIPNAPPTMRAPPPTAKGVVTIEQIVDTLPDRGRSCWHLGAVWALSQFQENELFLGMYPEEHFIEKPVKEAMIRFRKNLEAIVSVIAERNKNKKLPYYYLSPDRIPNSVAI
  
Inhibitor
Name:
BDBM50043678
Synonyms:
(S)-2-[3-Fluoro-5-(1-methyl-2-oxo-1,2-dihydro-quinolin-6-ylmethoxy)-phenyl]-2-methoxy-butyric acid methyl ester | CHEMBL440461
Type:
Small organic molecule
Emp. Form.:
C23H24FNO5
Mol. Mass.:
413.4388
SMILES:
CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Structure:
Search PDB for entries with ligand similarity: