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Target
Polyunsaturated fatty acid lipoxygenase ALOX12
Ligand
BDBM50182497
Substrate
n/a
Meas. Tech.
ChEMBL_332672 (CHEMBL858930)
IC50
>100000±n/a nM
Citation
 Kenyon, V; Chorny, I; Carvajal, WJ; Holman, TR; Jacobson, MP Novel human lipoxygenase inhibitors discovered using virtual screening with homology models. J Med Chem 49:1356-63 (2006) [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:
BDBM50182497
Synonyms:
2-(benzylthio)-N-(3-chloro-2-methylphenyl)acetamide | CHEMBL202034
Type:
Small organic molecule
Emp. Form.:
C16H16ClNOS
Mol. Mass.:
305.822
SMILES:
Cc1c(Cl)cccc1NC(=O)CSCc1ccccc1
Structure:
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