Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM22302
Substrate
n/a
Meas. Tech.
ChEMBL_1352296 (CHEMBL3269360)
IC50
21±n/a nM
Citation
 Rai, G; Joshi, N; Jung, JE; Liu, Y; Schultz, L; Yasgar, A; Perry, S; Diaz, G; Zhang, Q; Kenyon, V; Jadhav, A; Simeonov, A; Lo, EH; van Leyen, K; Maloney, DJ; Holman, TR Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies. J Med Chem 57:4035-48 (2014) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15
Synonyms:
15-Lipoxygenase | ALOX15 | Arachidonate 15-lipoxygenase | Erythroid cell-specific 15-lipoxygenase | LOX15_RABIT | Omega-6 lipoxygenase
Type:
Enzyme
Mol. Mass.:
75309.71
Organism:
Oryctolagus cuniculus (rabbit)
Description:
15-LO enzyme was purified from phenylhydrazine treated rabbits.
Residue:
663
Sequence:
MGVYRVCVSTGASIYAGSKNKVELWLVGQHGEVELGSCLRPTRNKEEEFKVNVSKYLGSLLFVRLRKKHFLKEDAWFCNWISVQALGAAEDKYWFPCYRWVVGDGVQSLPVGTGCTTVGDPQGLFQKHREQELEERRKLYQWGSWKEGLILNVAGSKLTDLPVDERFLEDKKIDFEASLAWGLAELALKNSLNILAPWKTLDDFNRIFWCGRSKLARRVRDSWQEDSLFGYQFLNGANPMLLRRSVQLPARLVFPPGMEELQAQLEKELKAGTLFEADFALLDNIKANVILYCQQYLAAPLVMLKLQPDGKLMPMVIQLHLPKIGSSPPPLFLPTDPPMVWLLAKCWVRSSDFQVHELNSHLLRGHLMAEVFTVATMRCLPSIHPVFKLIVPHLRYTLEINVRARNGLVSDFGIFDQIMSTGGGGHVQLLQQAGAFLTYRSFCPPDDLADRGLLGVESSFYAQDALRLWEIISRYVQGIMGLYYKTDEAVRDDLELQSWCREITEIGLQGAQKQGFPTSLQSVAQACHFVTMCIFTCTGQHSSIHLGQLDWFTWVPNAPCTMRLPPPTTKDATLETVMATLPNLHQSSLQMSIVWQLGRDQPIMVPLGQHQEEYFSGPEPRAVLEKFREELAIMDKEIEVRNEKLDIPYEYLRPSIVENSVAI
  
Inhibitor
Name:
BDBM22302
Synonyms:
N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide | tryptamine sulfonamide, 37l
Type:
Small organic molecule
Emp. Form.:
C29H30N2O3S
Mol. Mass.:
486.625
SMILES:
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Structure:
Search PDB for entries with ligand similarity: