Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM22233
Substrate
BDBM22231
Meas. Tech.
Enzyme Inhibition Assay
IC50
72±n/a nM
Citation
 Weinstein, DS; Liu, W; Ngu, K; Langevine, C; Combs, DW; Zhuang, S; Chen, C; Madsen, CS; Harper, TW; Robl, JA Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: highly potent against human enzyme within a cellular environment. Bioorg Med Chem Lett 17:5115-20 (2007) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15
Synonyms:
15-Lipoxygenase | ALOX15 | Arachidonate 15-lipoxygenase | Erythroid cell-specific 15-lipoxygenase | LOX15_RABIT | Omega-6 lipoxygenase
Type:
Enzyme
Mol. Mass.:
75309.71
Organism:
Oryctolagus cuniculus (rabbit)
Description:
15-LO enzyme was purified from phenylhydrazine treated rabbits.
Residue:
663
Sequence:
MGVYRVCVSTGASIYAGSKNKVELWLVGQHGEVELGSCLRPTRNKEEEFKVNVSKYLGSLLFVRLRKKHFLKEDAWFCNWISVQALGAAEDKYWFPCYRWVVGDGVQSLPVGTGCTTVGDPQGLFQKHREQELEERRKLYQWGSWKEGLILNVAGSKLTDLPVDERFLEDKKIDFEASLAWGLAELALKNSLNILAPWKTLDDFNRIFWCGRSKLARRVRDSWQEDSLFGYQFLNGANPMLLRRSVQLPARLVFPPGMEELQAQLEKELKAGTLFEADFALLDNIKANVILYCQQYLAAPLVMLKLQPDGKLMPMVIQLHLPKIGSSPPPLFLPTDPPMVWLLAKCWVRSSDFQVHELNSHLLRGHLMAEVFTVATMRCLPSIHPVFKLIVPHLRYTLEINVRARNGLVSDFGIFDQIMSTGGGGHVQLLQQAGAFLTYRSFCPPDDLADRGLLGVESSFYAQDALRLWEIISRYVQGIMGLYYKTDEAVRDDLELQSWCREITEIGLQGAQKQGFPTSLQSVAQACHFVTMCIFTCTGQHSSIHLGQLDWFTWVPNAPCTMRLPPPTTKDATLETVMATLPNLHQSSLQMSIVWQLGRDQPIMVPLGQHQEEYFSGPEPRAVLEKFREELAIMDKEIEVRNEKLDIPYEYLRPSIVENSVAI
  
Inhibitor
Name:
BDBM22233
Synonyms:
2,4,5-tri-substituted imidazole, 6b | 4-pentyl-N-(2-{2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}ethyl)benzene-1-sulfonamide
Type:
Small organic molecule
Emp. Form.:
C29H30F3N3O2S
Mol. Mass.:
541.628
SMILES:
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(cc1)C(F)(F)F)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22231
Synonyms:
(9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476 | Linoleic Acid | Linoleic acid (LA)
Type:
Unsaturated fatty acid
Emp. Form.:
C18H32O2
Mol. Mass.:
280.4455
SMILES:
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: