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Target
Polyunsaturated fatty acid lipoxygenase ALOX12
Ligand
BDBM50447175
Substrate
n/a
Meas. Tech.
ChEMBL_2130246 (CHEMBL4839675)
IC50
360±n/a nM
Citation
 Tsai, WC; Aleem, AM; Tena, J; Rivera-Velazquez, M; Brah, HS; Tripathi, S; D'silva, M; Nadler, JL; Kalyanaraman, C; Jacobson, MP; Holman, T Docking and mutagenesis studies lead to improved inhibitor development of ML355 for human platelet 12-lipoxygenase. Bioorg Med Chem 46:0 (2021) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX12
Synonyms:
12-LOX | 12-Lipoxygenase (12-LOX) | 12LO | ALOX12 | Arachidonate 12-lipoxygenase | Arachidonate 12-lipoxygenase, 12S-type | LOG12 | LOX12_HUMAN | Platelet 12-lipoxygenase | Platelet-type lipoxygenase 12
Type:
Protein
Mol. Mass.:
75689.18
Organism:
Homo sapiens (Human)
Description:
P18054
Residue:
663
Sequence:
MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI
  
Inhibitor
Name:
BDBM50447175
Synonyms:
CHEMBL3113165 | US10752581, Compound 35
Type:
Small organic molecule
Emp. Form.:
C21H19N3O4S2
Mol. Mass.:
441.523
SMILES:
COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Structure:
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