Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM50085045
Substrate
n/a
Meas. Tech.
ChEMBL_1622607 (CHEMBL3864959)
IC50
20000±n/a nM
Citation
 Morita, M; Naito, Y; Yoshikawa, T; Niki, E Inhibition of plasma lipid oxidation induced by peroxyl radicals, peroxynitrite, hypochlorite, 15-lipoxygenase, and singlet oxygen by clinical drugs. Bioorg Med Chem Lett 26:5411-5417 (2016) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15
Synonyms:
Alox12l | Alox15 | Arachidonate 15-lipoxygenase | LOX15_MOUSE
Type:
PROTEIN
Mol. Mass.:
75439.28
Organism:
Mus musculus
Description:
ChEMBL_761404
Residue:
663
Sequence:
MGVYRIRVSTGDSVYAGSNNEVYLWLIGQHGEASLGKLFRPCRNSEAEFKVDVSEYLGPLLFVRVQKWHYLKEDAWFCNWISVKGPGDQGSEYTFPCYRWVQGTSILNLPEGTGCTVVEDSQGLFRNHREEELEERRSLYRWGNWKDGTILNVAATSISDLPVDQRFREDKRLEFEASQVLGTMDTVINFPKNTVTCWKSLDDFNYVFKSGHTKMAERVRNSWKEDAFFGYQFLNGANPMVLKRSTCLPARLVFPPGMEKLQAQLDEELKKGTLFEADFFLLDGIKANVILCSQQYLAAPLVMLKLQPDGQLLPIAIQLELPKTGSTPPPIFTPLDPPMDWLLAKCWVRSSDLQLHELQAHLLRGHLVAEVFAVATMRCLPSVHPVFKLLVPHLLYTMEINVRARSDLISERGFFDKVMSTGGGGHLDLLKQAGAFLTYSSLCPPDDLAERGLLDIDTCFYAKDALQLWQVMNRYVVGMFDLYYKTDQAVQDDYELQSWCQEITEIGLQGAQDRGFPTSLQSRAQACHFITMCIFTCTAQHSSIHLGQLDWFYWVPNAPCTMRLPPPKTKDATMEKLMATLPNPNQSTLQINVVWLLGRRQAVMVPLGQHSEEHFPNPEAKAVLKKFREELAALDKEIEIRNKSLDIPYEYLRPSLVENSVAI
  
Inhibitor
Name:
BDBM50085045
Synonyms:
5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)methoxy)phenyl)methyl)thiazolidine-2,4-dione | 5-(4-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy)benzyl)thiazolidine-2,4-dione | 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzy l]-thiazolidine-2,4-dione (troglitazone) | 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione | 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione(troglitazone) | 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dioneTroglitazone | CHEMBL408 | CI-991 | CS-045 | GR92132X | PRELAY | REZULIN | TROGLITAZONE
Type:
Small organic molecule
Emp. Form.:
C24H27NO5S
Mol. Mass.:
441.54
SMILES:
Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Structure:
Search PDB for entries with ligand similarity: