| Reaction Details |
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 | Report a problem with these data |
| Target | Lipoxygenase |
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| Ligand | BDBM222277 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Molecular Docking |
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| Ki | 357.46±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 |
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| Synonyms: | Lipoxygenase (SLO) |
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| Type: | Protein |
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| Mol. Mass.: | 94406.69 |
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| Organism: | Glycine max (Soybean) |
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| Description: | PDB 3PZW |
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| Residue: | 839 |
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| Sequence: | MFSAGHKIKGTVVLMPKNELEVNPDGSAVDNLNAFLGRSVSLQLISATKADAHGKGKVGK
DTFLEGINTSLPTLGAGESAFNIHFEWDGSMGIPGAFYIKNYMQVEFFLKSLTLEAISNQ
GTIRFVCNSWVYNTKLYKSVRIFFANHTYVPSETPAPLVEYREEELKSLRGNGTGERKEY
DRIYDYDVYNDLGNPDKSEKLARPVLGGSSTFPYPRRGRTGRGPTVTDPNTEKQGEVFYV
PRDENLGHLKSKDALEIGTKSLSQIVQPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLP
RDVISTIIPLPVIKELYRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIR
GLEEFPPKSNLDPAIYGDQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPYVRQI
NQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQVVLPAKEGVESTIWL
LAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHRHLSVLHPIYKLLTPHYRNNMNINA
LARQSLINANGIIETTFLPSKYSVEMSSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHG
VRLLIEDYPYAADGLEIWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDL
KDKPWWPKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASRRLLPEKGT
PEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQRDNPHWTSDSKALQ
AFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLPYTLLYPSSEEGLTFRGIPNSISI
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| BDBM222277 |
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| n/a |
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| Name | BDBM222277 |
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| 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 (3i) |
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| Type | Small organic molecule |
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| Emp. Form. | C23H20Cl2O4 |
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| Mol. Mass. | 431.309 |
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| SMILES | COC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)c(Cl)c1)-c1ccc(C)c(Cl)c1 |
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| Structure | 
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