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Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50029560
Substrate
n/a
Meas. Tech.
ChEMBL_3832 (CHEMBL618017)
IC50
52±n/a nM
Citation
 Hutchinson, JH; Charleson, S; Evans, JF; Falgueyret, JP; Hoogsteen, K; Jones, TR; Kargman, S; Macdonald, D; McFarlane, CS; Nicholson, DW Thiopyranol[2,3,4-c,d]indoles as inhibitors of 5-lipoxygenase, 5-lipoxygenase-activating protein, and leukotriene C4 synthase. J Med Chem 38:4538-47 (1995) [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:
BDBM50029560
Synonyms:
2-[1-(4-Chloro-benzyl)-6-(5-methoxy-pyridin-2-ylmethoxy)-4-methyl-4,5-dihydro-1H-thiopyrano[2,3,4-cd]indol-2-ylmethylsulfanyl]-benzoic acid | CHEMBL415530
Type:
Small organic molecule
Emp. Form.:
C33H29ClN2O4S2
Mol. Mass.:
617.177
SMILES:
COc1ccc(COc2ccc3n(Cc4ccc(Cl)cc4)c(CSc4ccccc4C(O)=O)c4SC(C)Cc2c34)nc1
Structure:
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