Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50053561
Substrate
n/a
Meas. Tech.
ChEMBL_3826 (CHEMBL618012)
IC50
380±n/a nM
Citation
 Delorme, D; Ducharme, Y; Brideau, C; Chan, CC; Chauret, N; Desmarais, S; Dubé, D; Falgueyret, JP; Fortin, R; Guay, J; Hamel, P; Jones, TR; Lépine, C; Li, C; McAuliffe, M; McFarlane, CS; Nicoll-Griffith, DA; Riendeau, D; Yergey, JA; Girard, Y Dioxabicyclooctanyl naphthalenenitriles as nonredox 5-lipoxygenase inhibitors: structure-activity relationship study directed toward the improvement of metabolic stability. J Med Chem 39:3951-70 (1996) [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:
BDBM50053561
Synonyms:
4-(2-Chloro-phenyl)-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-3H-naphtho[2,3-c]furan-1-one | CHEMBL340333
Type:
Small organic molecule
Emp. Form.:
C30H25ClO5
Mol. Mass.:
500.97
SMILES:
OC1(CCOCC1)c1cccc(COc2ccc3c(c4COC(=O)c4cc3c2)-c2ccccc2Cl)c1 |(2.26,-3.69,;2.28,-2.15,;.91,.28,;-2.01,-1.07,;-3.91,-.24,;-2.75,-2.55,;.4,-1.19,;3.6,-1.39,;3.59,.15,;4.98,.83,;6.27,-.01,;6.33,-1.51,;7.65,-2.25,;8.99,-1.48,;10.31,-2.25,;10.31,-3.79,;11.62,-4.56,;12.97,-3.79,;14.29,-4.56,;15.62,-3.8,;17.08,-4.28,;17.98,-3.05,;17.08,-1.81,;17.58,-.33,;15.64,-2.26,;14.31,-1.49,;12.97,-2.25,;11.65,-1.45,;14.26,-6.1,;12.93,-6.84,;12.91,-8.38,;14.24,-9.15,;15.57,-8.41,;15.59,-6.87,;16.92,-6.11,;4.98,-2.25,)|
Structure:
Search PDB for entries with ligand similarity: