Reaction Details Report a problem with these data
Target
Seed linoleate 13S-lipoxygenase-1
Ligand
BDBM22340
Substrate
BDBM22336
Meas. Tech.
Soybean Lipoxygenase Inhibition Assay
pH
7.4±n/a
Temperature
301.15±n/a K
IC50
89100±n/a nM
Citation
 Geronikaki, AA; Lagunin, AA; Hadjipavlou-Litina, DI; Eleftheriou, PT; Filimonov, DA; Poroikov, VV; Alam, I; Saxena, AK Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition. J Med Chem 51:1601-9 (2008) [PubMed]  Article 
Target
Name:
Seed linoleate 13S-lipoxygenase-1
Synonyms:
15-LOX | 15-Lipo-oxygenase (15-LO) | 15-lipo-oxygenase (SLO) | Arachidonic Acid 15- Lipoxygenase | L-1 | LOX1 | LOX1.1 | LOX1_SOYBN | Lipoxygenase (LOX) | Lipoxygenase (SLO) | Lipoxygenase-1 | Seed lipoxygenase-1
Type:
Enzyme
Mol. Mass.:
94365.66
Organism:
Glycine max (soybean)
Description:
n/a
Residue:
839
Sequence:
MFSAGHKIKGTVVLMPKNELEVNPDGSAVDNLNAFLGRSVSLQLISATKADAHGKGKVGKDTFLEGINTSLPTLGAGESAFNIHFEWDGSMGIPGAFYIKNYMQVEFFLKSLTLEAISNQGTIRFVCNSWVYNTKLYKSVRIFFANHTYVPSETPAPLVSYREEELKSLRGNGTGERKEYDRIYDYDVYNDLGNPDKSEKLARPVLGGSSTFPYPRRGRTGRGPTVTDPNTEKQGEVFYVPRDENLGHLKSKDALEIGTKSLSQIVQPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLPRDVISTIIPLPVIKELYRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIRGLEEFPPKSNLDPAIYGDQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPYVRQINQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQVVLPAKEGVESTIWLLAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMNINALARQSLINANGIIETTFLPSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHGVRLLIEDYPYAADGLEIWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDLKDKPWWPKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASRRLLPEKGTPEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPHWTSDSKALQAFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLPYTLLYPSSEEGLTFRGIPNSISI
  
Inhibitor
Name:
BDBM22340
Synonyms:
(5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thiazol-2-ylamino)-4,5-dihydro-1,3-thiazol-4-one | thiazolidinone derivative, 5
Type:
Small organic molecule
Emp. Form.:
C13H8N4O3S2
Mol. Mass.:
332.358
SMILES:
[O-][N+](=O)c1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1 |w:8.7,c:18|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22336
Synonyms:
Sodium linoleate | sodium (9E,12E)-octadeca-9,12-dienoate
Type:
Unsaturated fatty acid salt
Emp. Form.:
C18H31O2
Mol. Mass.:
279.4381
SMILES:
CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
Structure:
Search PDB for entries with ligand similarity: