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Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50331794
Substrate
n/a
Meas. Tech.
ChEMBL_686760 (CHEMBL1290999)
IC50
19±n/a nM
Citation
 Li, L; Berthelette, C; Chateauneuf, A; Ouellet, M; Sturino, CF; Wang, Z Potent and selective 5-LO inhibitor bearing benzothiophene pharmacophore: discovery of MK-5286. Bioorg Med Chem Lett 20:7440-3 (2010) [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:
BDBM50331794
Synonyms:
1,1,1-trifluoro-2-(1-((2-(hydroxymethyl)-3-phenylbenzo[b]thiophen-6-yl)methyl)-1H-1,2,3-triazol-4-yl)butan-2-ol | CHEMBL1289093
Type:
Small organic molecule
Emp. Form.:
C22H20F3N3O2S
Mol. Mass.:
447.473
SMILES:
CCC(O)(c1cn(Cc2ccc3c(c(CO)sc3c2)-c2ccccc2)nn1)C(F)(F)F
Structure:
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