Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50591544
Substrate
n/a
Meas. Tech.
ChEMBL_2200645 (CHEMBL5113161)
IC50
>10000±n/a nM
Citation
 Cerqua, I; Musella, S; Peltner, LK; D'Avino, D; Di Sarno, V; Granato, E; Vestuto, V; Di Matteo, R; Pace, S; Ciaglia, T; Bilancia, R; Smaldone, G; Di Matteo, F; Di Micco, S; Bifulco, G; Pepe, G; Basilicata, MG; Rodriquez, M; Gomez-Monterrey, IM; Campiglia, P; Ostacolo, C; Roviezzo, F; Werz, O; Rossi, A; Bertamino, A Discovery and Optimization of Indoline-Based Compounds as Dual 5-LOX/sEH Inhibitors:  J Med Chem 65:14456-14480 (2022) [PubMed] 
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:
BDBM50591544
Synonyms:
CHEMBL5185283
Type:
Small organic molecule
Emp. Form.:
C22H29N5O3S
Mol. Mass.:
443.562
SMILES:
Cc1ccc2N(C(=O)C3CCCCC3)C(=O)C3(SCC(=O)N3CCCNC(N)=N)c2c1
Structure:
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