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Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50163748
Substrate
n/a
Meas. Tech.
ChEMBL_1361561 (CHEMBL3295128)
IC50
700±n/a nM
Citation
 Koeberle, A; Muņoz, E; Appendino, GB; Minassi, A; Pace, S; Rossi, A; Weinigel, C; Barz, D; Sautebin, L; Caprioglio, D; Collado, JA; Werz, O SAR studies on curcumin's pro-inflammatory targets: discovery of prenylated pyrazolocurcuminoids as potent and selective novel inhibitors of 5-lipoxygenase. J Med Chem 57:5638-48 (2014) [PubMed]  Article
Target
Name:
Polyunsaturated fatty acid 5-lipoxygenase
Synonyms:
5-LO | 5-Lipo-oxygenase (5-LOX) | 5-Lipoxygenase (5-LO) | 5-Lipoxygenase (LOX) | 5-Lipoygenase | 5-lipoxygenase/FLAP | ALOX5 | Arachidonate 5-lipoxygenase | LOG5 | LOX5_HUMAN
Type:
Enzyme
Mol. Mass.:
77972.74
Organism:
Homo sapiens (Human)
Description:
Recombinant protein was purified from E. coli lysate. After ammonium sulfate precipitation and subsequent steps, the supernatant (S100) was used for 5-LO activity assay.
Residue:
674
Sequence:
MPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGAVDSYDVTVDEELGEIQLVRIEKRKYWLNDDWYLKYITLKTPHGDYIEFPCYRWITGDVEVVLRDGRAKLARDDQIHILKQHRRKELETRQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQSSWNDFADFEKIFVKISNTISERVMNHWQEDLMFGYQFLNGCNPVLIRRCTELPEKLPVTTEMVECSLERQLSLEQEVQQGNIFIVDFELLDGIDANKTDPCTLQFLAAPICLLYKNLANKIVPIAIQLNQIPGDENPIFLPSDAKYDWLLAKIWVRSSDFHVHQTITHLLRTHLVSEVFGIAMYRQLPAVHPIFKLLVAHVRFTIAINTKAREQLICECGLFDKANATGGGGHVQMVQRAMKDLTYASLCFPEAIKARGMESKEDIPYYFYRDDGLLVWEAIRTFTAEVVDIYYEGDQVVEEDPELQDFVNDVYVYGMRGRKSSGFPKSVKSREQLSEYLTVVIFTASAQHAAVNFGQYDWCSWIPNAPPTMRAPPPTAKGVVTIEQIVDTLPDRGRSCWHLGAVWALSQFQENELFLGMYPEEHFIEKPVKEAMARFRKNLEAIVSVIAERNKKKQLPYYYLSPDRIPNSVAI
  
Inhibitor
Name:
BDBM50163748
Synonyms:
(E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethenyl]-1H-pyrazole | 4,4'-2,2'-(1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol) | 4,40-(1E,10E)-2,20-(1-H-Pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol) | 4-((E)-2-{3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-1H-pyrazol-5-yl}vinyl)-2-methoxyphenol | 4-(2-(5-(4-hydroxy-3-methoxystyryl)-1H-pyrazol-3-yl)vinyl)-2-methoxyphenol | CHEMBL180239
Type:
Small organic molecule
Emp. Form.:
C21H20N2O4
Mol. Mass.:
364.3945
SMILES:
COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
Structure:
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