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Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50085168
Substrate
n/a
Meas. Tech.
ChEMBL_86312 (CHEMBL696464)
IC50
21±n/a nM
Citation
 Kolasa, T; Gunn, DE; Bhatia, P; Woods, KW; Gane, T; Stewart, AO; Bouska, JB; Harris, RR; Hulkower, KI; Malo, PE; Bell, RL; Carter, GW; Brooks, CD Heteroarylmethoxyphenylalkoxyiminoalkylcarboxylic acids as leukotriene biosynthesis inhibitors. J Med Chem 43:690-705 (2000) [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:
BDBM50085168
Synonyms:
CHEMBL163544 | {Adamantan-2-yl-[4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C29H30N2O4
Mol. Mass.:
470.5595
SMILES:
OC(=O)\C=N\OC(C1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccc3ccccc3n2)cc1 |TLB:13:8:16:12.14.11,13:12:7.8.9:16,THB:11:10:7:12.13.14,11:12:7:10.9.16,6:7:16:12.14.11,(18.19,-7.29,;18.17,-5.77,;19.52,-5,;16.84,-5,;15.51,-5.77,;14.16,-5,;12.83,-5.77,;12.83,-7.32,;11.65,-8.23,;12.07,-9.59,;13.22,-10.48,;11.58,-10.46,;11.16,-8.99,;9.9,-8.08,;12.42,-8.01,;14.04,-8.08,;14.44,-9.55,;11.51,-5,;11.51,-3.45,;10.17,-2.68,;8.85,-3.45,;7.52,-2.68,;6.19,-3.47,;4.85,-2.68,;4.84,-1.13,;3.5,-.37,;2.16,-1.15,;.82,-.37,;-.51,-1.15,;-.51,-2.71,;.82,-3.48,;2.16,-2.68,;3.5,-3.47,;8.85,-4.98,;10.17,-5.76,)|
Structure:
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