Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM50330433
Substrate
n/a
Meas. Tech.
ChEMBL_684841 (CHEMBL1286071)
Ki
3.25±n/a nM
Citation
 Daher, R; Coinçon, M; Fonvielle, M; Gest, PM; Guerin, ME; Jackson, M; Sygusch, J; Therisod, M Rational design, synthesis, and evaluation of new selective inhibitors of microbial class II (zinc dependent) fructose bis-phosphate aldolases. J Med Chem 53:7836-42 (2010) [PubMed]  Article 
Target
Name:
Fructose-bisphosphate aldolase
Synonyms:
37 kDa major allergen | ALF_CANAL | FBA1 | FBP aldolase | FBPA | Fructose-1,6-bisphosphate aldolase | IgE-binding allergen
Type:
PROTEIN
Mol. Mass.:
39211.38
Organism:
Candida albicans
Description:
ChEMBL_684841
Residue:
359
Sequence:
MAPPAVLSKSGVIYGKDVKDLFDYAQEKGFAIPAINVTSSSTVVAALEAARDNKAPIILQTSQGGAAYFAGKGVDNKDQAASIAGSIAAAHYIRAIAPTYGIPVVLHTDHCAKKLLPWFDGMLKADEEFFAKTGTPLFSSHMLDLSEETDDENIATCAKYFERMAKMGQWLEMEIGITGGEEDGVNNEHVEKDALYTSPETVFAVYESLHKISPNFSIAAAFGNVHGVYKPGNVQLRPEILGDHQVYAKKQIGTDAKHPLYLVFHGGSGSTQEEFNTAIKNGVVKVNLDTDCQYAYLTGIRDYVTNKIEYLKAPVGNPEGADKPNKKYFDPRVWVREGEKTMSKRIAEALDIFHTKGQL
  
Inhibitor
Name:
BDBM50330433
Synonyms:
4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate | CHEMBL1236228 | N-(4-hydroxybutyl)-glycolohydroxamicacid bis-phosphate
Type:
Small organic molecule
Emp. Form.:
C6H15NO10P2
Mol. Mass.:
323.1315
SMILES:
ON(CCCCOP(O)(O)=O)C(=O)COP(O)(O)=O
Structure:
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