Reaction Details
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Polyunsaturated fatty acid lipoxygenase ALOX12
Ligand
BDBM50214969
Substrate
n/a
Meas. Tech.
ChEMBL_449592 (CHEMBL898687)
IC50
580±n/a nM
Citation
Deschamps, JD; Gautschi, JT; Whitman, S; Johnson, TA; Gassner, NC; Crews, P; Holman, TR Discovery of platelet-type 12-human lipoxygenase selective inhibitors by high-throughput screening of structurally diverse libraries. Bioorg Med Chem 15:6900-8 (2007) [PubMed] Article More Info.:
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:
BDBM50214969
Synonyms:
1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one | 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone | CHEMBL323197 | Mangostin | alpha-mangostin
Type:
Small organic molecule
Emp. Form.:
C24H26O6
Mol. Mass.:
410.4596
SMILES:
[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Structure:
