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Target
Polyunsaturated fatty acid lipoxygenase ALOX15B
Ligand
BDBM68853
Substrate
n/a
Meas. Tech.
ChEMBL_2116449 (CHEMBL4825390)
Ki
700±n/a nM
Citation
 Tsai, WC; Gilbert, NC; Ohler, A; Armstrong, M; Perry, S; Kalyanaraman, C; Yasgar, A; Rai, G; Simeonov, A; Jadhav, A; Standley, M; Lee, HW; Crews, P; Iavarone, AT; Jacobson, MP; Neau, DB; Offenbacher, AR; Newcomer, M; Holman, TR Kinetic and structural investigations of novel inhibitors of human epithelial 15-lipoxygenase-2. Bioorg Med Chem 46:0 (2021) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15B
Synonyms:
15-LOX-2 | 15-Lipo-oxygenase type 2 (15-LOX-2) | 15-Lipoxygenase-2 (15-LOX-2) | 15-lipoxygenase 2 | ALOX15B | Arachidonate 15-lipoxygenase type II | Arachidonate 15-lipoxygenase, type II | Arachidonate 15-lipoxygenase-2 | Epithelial 15-lipoxygenase-2 | LX15B_HUMAN
Type:
Protein
Mol. Mass.:
75850.40
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
676
Sequence:
MAEFRVRVSTGEAFGAGTWDKVSVSIVGTRGESPPLPLDNLGKEFTAGAEEDFQVTLPEDVGRVLLLRVHKAPPVLPLLGPLAPDAWFCRWFQLTPPRGGHLLFPCYQWLEGAGTLVLQEGTAKVSWADHHPVLQQQRQEELQARQEMYQWKAYNPGWPHCLDEKTVEDLELNIKYSTAKNANFYLQAGSAFAEMKIKGLLDRKGLWRSLNEMKRIFNFRRTPAAEHAFEHWQEDAFFASQFLNGLNPVLIRRCHYLPKNFPVTDAMVASVLGPGTSLQAELEKGSLFLVDHGILSGIQTNVINGKPQFSAAPMTLLYQSPGCGPLLPLAIQLSQTPGPNSPIFLPTDDKWDWLLAKTWVRNAEFSFHEALTHLLHSHLLPEVFTLATLRQLPHCHPLFKLLIPHTRYTLHINTLARELLIVPGQVVDRSTGIGIEGFSELIQRNMKQLNYSLLCLPEDIRTRGVEDIPGYYYRDDGMQIWGAVERFVSEIIGIYYPSDESVQDDRELQAWVREIFSKGFLNQESSGIPSSLETREALVQYVTMVIFTCSAKHAAVSAGQFDSCAWMPNLPPSMQLPPPTSKGLATCEGFIATLPPVNATCDVILALWLLSKEPGDQRPLGTYPDEHFTEEAPRRSIATFQSRLAQISRGIQERNQGLVLPYTYLDPPLIENSVSI
  
Inhibitor
Name:
BDBM68853
Synonyms:
1-phenyl-2-[[4-(trifluoromethyl)benzyl]thio]imidazole | 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole | 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole | 1-phenyl-2-{[4-(trifluoromethyl)benzyl]sulfanyl}-1H-imidazole | MLS000327069 | SMR000179722 | cid_3696046
Type:
Small organic molecule
Emp. Form.:
C17H13F3N2S
Mol. Mass.:
334.359
SMILES:
FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1
Structure:
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