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Target
Seed linoleate 13S-lipoxygenase-1
Ligand
BDBM50135281
Substrate
n/a
Meas. Tech.
ChEMBL_1546118 (CHEMBL3749636)
IC50
4000±n/a nM
Citation
 Averina, EB; Vasilenko, DA; Gracheva, YA; Grishin, YK; Radchenko, EV; Burmistrov, VV; Butov, GM; Neganova, ME; Serkova, TP; Redkozubova, OM; Shevtsova, EF; Milaeva, ER; Kuznetsova, TS; Zefirov, NS Synthesis and biological evaluation of novel 5-hydroxylaminoisoxazole derivatives as lipoxygenase inhibitors and metabolism enhancing agents. Bioorg Med Chem 24:712-20 (2016) [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:
BDBM50135281
Synonyms:
CHEMBL3747483
Type:
Small organic molecule
Emp. Form.:
C18H24N2O5
Mol. Mass.:
348.3936
SMILES:
ON(C1CCCO1)c1cc(no1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(9.55,.61,;9.1,1.77,;10.08,2.98,;9.65,4.46,;10.95,5.31,;12.16,4.34,;11.61,2.88,;7.57,2.01,;6.47,.91,;5.11,1.62,;5.33,3.15,;6.86,3.39,;3.72,.92,;3.65,-.32,;2.42,1.77,;1.02,1.06,;-.29,1.71,;-1.05,.45,;-1.05,-1.34,;-2.27,-2.13,;-1.87,-.7,;-2.04,.73,;-.4,-.89,;1.12,-.36,;.37,-1.61,)|
Structure:
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