Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50029775
Substrate
n/a
Meas. Tech.
ChEMBL_90070 (CHEMBL701321)
IC50
70±n/a nM
Citation
Stewart, AO; Bhatia, PA; Martin, JG; Summers, JB; Rodriques, KE; Martin, MB; Holms, JH; Moore, JL; Craig, RA; Kolasa, T; Ratajczyk, JD; Mazdiyasni, H; Kerdesky, FA; DeNinno, SL; Maki, RG; Bouska, JB; Young, PR; Lanni, C; Bell, RL; Carter, GW; Brooks, CD Structure-activity relationships of N-hydroxyurea 5-lipoxygenase inhibitors. J Med Chem 40:1955-68 (1997) [PubMed] Article
More Info.:
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:
BDBM50029775
Synonyms:
(R)-(+)-N-{3-[5-(4-fluorophenoxy)furan-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea | (S)-(-)-N-{3-[5-(4-fluorophenoxy)furan-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea | A-78773 | CHEMBL59598 | N-{3-[5-(4-fluorophenoxy)-2-furyl]-1-methylprop-2-ynyl}-N-hydroxyurea | N-{3-[5-(4-fluorophenoxy)-2-furyl]-1-methylprop-2-ynyl}-N-hydroxyurea(A-78773) | N-{3-[5-(4-fluorophenoxy)furan-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea
Type:
Small organic molecule
Emp. Form.:
C15H13FN2O4
Mol. Mass.:
304.2731
SMILES:
CC(C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O