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Target
Seed linoleate 13S-lipoxygenase-1
Ligand
BDBM152745
Substrate
n/a
Meas. Tech.
15LO Inhibition Assay
pH
7±n/a
Temperature
298.15±n/a K
IC50
9e+3±n/a nM
Comments
extracted
Citation
 Asghari, T; Bakavoli, M; Rahimizadeh, M; Eshghi, H; Saberi, S; Karimian, A; Hadizadeh, F; Ghandadi, M Synthesis and evaluation of a new series of 3,5-bis((5-bromo-6-methyl-2-t-aminopyrimidin-4-yl)thio)-4H-1,2,4-triazol-4-amines and their cyclized products 'pyrimidinylthio pyrimidotriazolothiadiazines' as 15- lipo-oxygenase inhibitors. Chem Biol Drug Des 85:216-24 (2015) [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:
BDBM152745
Synonyms:
3,5-bis((5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl)thio)-4H-1,2,4-triazol-4-amine (4d)
Type:
Small organic molecule
Emp. Form.:
C22H30Br2N12S2
Mol. Mass.:
686.492
SMILES:
CN1CCN(CC1)c1nc(C)c(Br)c(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCN(C)CC3)n2N)n1
Structure:
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