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Target
Lipoxygenase
Ligand
BDBM222270
Substrate
n/a
Meas. Tech.
Molecular Docking
Ki
178.50±0.0 nM
Citation
 Vinayagam, J; Gajbhiye, RL; Mandal, L; Arumugam, M; Achari, A; Jaisankar, P Substituted furans as potent lipoxygenase inhibitors: Synthesis, in vitro and molecular docking studies. Bioorg Chem 71:97-101 (2017) [PubMed]  Article 
Target
Name:
Lipoxygenase
Synonyms:
Lipoxygenase (SLO)
Type:
Protein
Mol. Mass.:
94406.69
Organism:
Glycine max (Soybean)
Description:
PDB 3PZW
Residue:
839
Sequence:
MFSAGHKIKGTVVLMPKNELEVNPDGSAVDNLNAFLGRSVSLQLISATKADAHGKGKVGKDTFLEGINTSLPTLGAGESAFNIHFEWDGSMGIPGAFYIKNYMQVEFFLKSLTLEAISNQGTIRFVCNSWVYNTKLYKSVRIFFANHTYVPSETPAPLVEYREEELKSLRGNGTGERKEYDRIYDYDVYNDLGNPDKSEKLARPVLGGSSTFPYPRRGRTGRGPTVTDPNTEKQGEVFYVPRDENLGHLKSKDALEIGTKSLSQIVQPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLPRDVISTIIPLPVIKELYRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIRGLEEFPPKSNLDPAIYGDQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPYVRQINQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQVVLPAKEGVESTIWLLAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMNINALARQSLINANGIIETTFLPSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHGVRLLIEDYPYAADGLEIWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDLKDKPWWPKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASRRLLPEKGTPEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPHWTSDSKALQAFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLPYTLLYPSSEEGLTFRGIPNSISI
  
Inhibitor
Name:
BDBM222270
Synonyms:
Methyl 2-methyl-5-(4-methylphenyl)-4-[2-(4-methylphenyl)-2-oxoethyl]furan-3-carboxylate (3c)
Type:
Small organic molecule
Emp. Form.:
C23H22O4
Mol. Mass.:
362.4184
SMILES:
COC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)cc1)-c1ccc(C)cc1
Structure:
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