Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM50150794
Substrate
n/a
Meas. Tech.
ChEMBL_305468 (CHEMBL831078)
IC50
2000±n/a nM
Citation
 Segraves, EN; Shah, RR; Segraves, NL; Johnson, TA; Whitman, S; Sui, JK; Kenyon, VA; Cichewicz, RH; Crews, P; Holman, TR Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase. J Med Chem 47:4060-5 (2004) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15
Synonyms:
15-Lipoxygenase-1 (15-LOX-1) | ALOX15 | Arachidonate 15-lipoxygenase | Arachidonate 15-lipoxygenase-1 | LOG15 | LOX15_HUMAN | Reticulocyte 15-lipoxygenase-1 | Sphingosine 1-phosphate receptor 1 (S1P1)
Type:
Protein
Mol. Mass.:
74804.05
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
662
Sequence:
MGLYRIRVSTGASLYAGSNNQVQLWLVGQHGEAALGKRLWPARGKETELKVEVPEYLGPLLFVKLRKRHLLKDDAWFCNWISVQGPGAGDEVRFPCYRWVEGNGVLSLPEGTGRTVGEDPQGLFQKHREEELEERRKLYRWGNWKDGLILNMAGAKLYDLPVDERFLEDKRVDFEVSLAKGLADLAIKDSLNVLTCWKDLDDFNRIFWCGQSKLAERVRDSWKEDALFGYQFLNGANPVVLRRSAHLPARLVFPPGMEELQAQLEKELEGGTLFEADFSLLDGIKANVILCSQQHLAAPLVMLKLQPDGKLLPMVIQLQLPRTGSPPPPLFLPTDPPMAWLLAKCWVRSSDFQLHELQSHLLRGHLMAEVIVVATMRCLPSIHPIFKLIIPHLRYTLEINVRARTGLVSDMGIFDQIMSTGGGGHVQLLKQAGAFLTYSSFCPPDDLADRGLLGVKSSFYAQDALRLWEIIYRYVEGIVSLHYKTDVAVKDDPELQTWCREITEIGLQGAQDRGFPVSLQARDQVCHFVTMCIFTCTGQHASVHLGQLDWYSWVPNAPCTMRLPPPTTKDATLETVMATLPNFHQASLQMSITWQLGRRQPVMVAVGQHEEEYFSGPEPKAVLKKFREELAALDKEIEIRNAKLDMPYEYLRPSVVENSVAI
  
Inhibitor
Name:
BDBM50150794
Synonyms:
CHEMBL186752 | N-[2-(3-Bromo-4-hydroxy-phenyl)-ethyl]-3-[3,5-dibromo-4-(3-bromo-5-{2-[2-((E)-3-bromo-4-hydroxy-phenyl)-vinylcarbamoyl]-2-hydroxyimino-ethyl}-2-hydroxy-phenoxy)-phenyl]-2-[(E)-hydroxyimino]-propionamide
Type:
Small organic molecule
Emp. Form.:
C34H27Br5N4O8
Mol. Mass.:
1019.12
SMILES:
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(Oc3cc(CC(N=O)C(=O)NC=Cc4ccc(O)c(Br)c4)cc(Br)c3O)c(Br)c2)N=O)cc1Br |w:29.29|
Structure:
Search PDB for entries with ligand similarity: