Reaction Details |
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Target | Lipoxygenase |
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Ligand | BDBM222276 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Molecular Docking |
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Ki | 539.32±0.0 nM |
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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 Chem71:97-101 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Lipoxygenase |
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Name: | Lipoxygenase |
Synonyms: | Lipoxygenase (SLO) |
Type: | Protein |
Mol. Mass.: | 94406.69 |
Organism: | Glycine max (Soybean) |
Description: | PDB 3PZW |
Residue: | 839 |
Sequence: | MFSAGHKIKGTVVLMPKNELEVNPDGSAVDNLNAFLGRSVSLQLISATKADAHGKGKVGK
DTFLEGINTSLPTLGAGESAFNIHFEWDGSMGIPGAFYIKNYMQVEFFLKSLTLEAISNQ
GTIRFVCNSWVYNTKLYKSVRIFFANHTYVPSETPAPLVEYREEELKSLRGNGTGERKEY
DRIYDYDVYNDLGNPDKSEKLARPVLGGSSTFPYPRRGRTGRGPTVTDPNTEKQGEVFYV
PRDENLGHLKSKDALEIGTKSLSQIVQPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLP
RDVISTIIPLPVIKELYRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIR
GLEEFPPKSNLDPAIYGDQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPYVRQI
NQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQVVLPAKEGVESTIWL
LAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMNINA
LARQSLINANGIIETTFLPSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHG
VRLLIEDYPYAADGLEIWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDL
KDKPWWPKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASRRLLPEKGT
PEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPHWTSDSKALQ
AFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLPYTLLYPSSEEGLTFRGIPNSISI
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BDBM222276 |
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n/a |
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Name | BDBM222276 |
Synonyms: | 5-(3-Chloro-4-methyl-phenyl)-4-[2-(3-chloro-4-methyl-phenyl)-2-oxo-ethyl)-2-methyl-furan-3-carboxylic acid methyl ester (3j) |
Type | Small organic molecule |
Emp. Form. | C24H22Cl2O4 |
Mol. Mass. | 445.335 |
SMILES | CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)c(Cl)c1)-c1ccc(C)c(Cl)c1 |
Structure |
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