Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX12
Ligand
BDBM50052461
Substrate
n/a
Meas. Tech.
ChEMBL_207 (CHEMBL615241)
IC50
30000±n/a nM
Citation
 Müller, K; Huang, HS; Wiegrebe, W Antipsoriatic anthrones with modulated redox properties. 3. 10-thio-substituted 1,8-dihydroxy-9(10H)-anthracenones as inhibitors of keratinocyte growth, 5-lipoxygenase, and the formation of 12(S)-HETE in mouse epidermis. J Med Chem 39:3132-8 (1996) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX12
Synonyms:
Alox12 | Alox12p | Arachidonate 12-lipoxygenase | LOX12_MOUSE
Type:
PROTEIN
Mol. Mass.:
75384.34
Organism:
Mus musculus
Description:
ChEMBL_1290357
Residue:
663
Sequence:
MGRYRVRVVTGAWLFSGSLNLVRLWLVGEHREAKLELQLRPARGKEEEFDFDVPEDLGPLQFVKLHKQHTVVDDAWFCNLITVQGPGTSAEAVFPCYRWVQGEGILSLPEGTARLAGDNALDVFQKYREKELKERQQTYCWATWKEGLPQTIAADCKDDLPPNMRFHEEKRLDFEWTLKAGVLEMGLKRVYTLLRSWNHLEDFDQIFWGQKSALAEKVHQCWQEDELFGYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELKNGSLFEADFILLDGIPANVIRGEPQYLAAPLVMLRMDPGGKLLPMAIQIQPPNPSSPAPTLFLPSDPPLAWLLAKIWVRNSDFQLQELQFHLLNTHLVAEVIAVATMRCLPGLHPIFKLLVPHIRYTMEINTRSRTQLISDGGIFDQVVSTGGGGHVQLLTRAVAQLTYHSLCPPDDLANRGLLRIPSALYARDALQLWEVTARYVKGMVHLFYQSDDIVRGDPELQAWCREITEVGLCHAQDRGFPVSFQSRAQLCHFLTMCVFTCTAQHAAINQGQLDWYGWVPNAPCTMRMPPPTSKDDVTMETVMGSLPDVQKACLQMTITWHLGRLQPDMVPLGHHTEKYFSDPRTKAVLSQFQADLDNLEKEITARNEQLDLPYEYLKPSRIENSITI
  
Inhibitor
Name:
BDBM50052461
Synonyms:
1,8-Dihydroxy-10-(3-mercapto-propylsulfanyl)-10H-anthracen-9-one | CHEMBL324641
Type:
Small organic molecule
Emp. Form.:
C17H16O3S2
Mol. Mass.:
332.437
SMILES:
Oc1cccc2C(SCCCS)c3cccc(O)c3C(=O)c12
Structure:
Search PDB for entries with ligand similarity: