Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM469016
Substrate
n/a
Meas. Tech.
LOX Enzyme Activity Assay
IC50
720±n/a nM
Citation
 Springer, C; Marais, R; Niculescu-Duvaz, D; Leung, L; Smithen, D; Callens, C; Tang, H Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer US Patent  US11608330 Publication Date 3/21/2023 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15
Synonyms:
12-LOX | 12/15-lipoxygenase | 15-LOX | ALOX15 | Arachidonate 12-lipoxygenase | Arachidonate 12-lipoxygenase, leukocyte-type | Arachidonate omega-6 lipoxygenase | Erythroid cell-specific 15-lipoxygenase | LOX15_PIG
Type:
PROTEIN
Mol. Mass.:
74999.86
Organism:
Sus scrofa
Description:
ChEMBL_1510008
Residue:
663
Sequence:
MGLYRVRVSTGSSFYAGSQNQVQLWLVGQHGEAALGWCLRPARGKETEFSVDVSEYLGPLLFVKLRKRHLLQDDAWFCNWISVQGPGANGDEFRFPCYRWVEGDRILSLPEGTARTVVDDPQGLFKKHREEELAERRKLYRWGNWKDGLILNIASTGIHDLPVDERFLEDKRIDFEASLAKGLADLAVKDSLNVLMSWNSLDSFNRIFWCGQSKLAERVRDSWKEDALFGYQFLNGTNPMLLRHSVELPARLKFPPGMEELQAQLEKELQGGTLFEADFSLLDGIKANVILCSQQYLAVPLVMLKLQPDGKLLPMVIQLQLPHEGSPLPPLFLPTDPPMVWLLAKCWVRSSDFQLHELHSHLLRGHLMAEVIAVATMRCLPSIHPIFKLLIPHFRYTMEINVRARNGLVSDLGIFDQVVSTGGGGHVELLRRAAALLTYSSFCPPDDLADRGLLGVESSFYAQDALRLWEVISRYVEGIVSLHYKTDESVKEDLELQAWCREFTEIGLLGAQDRGFPVSLQSKEQLCHFVTMCIFTCTGQHSSNHLGQLDWYSWVPNAPCTMRLPPPTTKDATLETVMATLPNFHQASLQMSITWQLGRCQPTMVALGQHEEEYFSGPGPKAVLTKFREELAALDKDIEVRNAKLALPYEYLRPSRVENSVAI
  
Inhibitor
Name:
BDBM469016
Synonyms:
US10807974, Example 32 | US10995088, Example 32 | US11608330, Example 32
Type:
Small organic molecule
Emp. Form.:
C20H20N2O5S3
Mol. Mass.:
464.578
SMILES:
NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCNC(=O)c1ccccc1
Structure:
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