Reaction Details Report a problem with these data
Target
Isocitrate lyase
Ligand
BDBM50436922
Substrate
n/a
Meas. Tech.
ChEMBL_972063 (CHEMBL2406167)
IC50
17160±n/a nM
Citation
 Ahn, CH; Won, TH; Kim, H; Shin, J; Oh, KB Inhibition of Candida albicans isocitrate lyase activity by cadiolides and synoilides from the ascidian Synoicum sp. Bioorg Med Chem Lett 23:4099-101 (2013) [PubMed]  Article 
Target
Name:
Isocitrate lyase
Synonyms:
ACEA_CANAX | ICL1
Type:
PROTEIN
Mol. Mass.:
61398.95
Organism:
Candida albicans
Description:
ChEMBL_972063
Residue:
550
Sequence:
MPYTPIDIQKEEADFQKEVAEIKKWWSEPRWRKTKRIYSAEDIAKKRGTLKINHPSSQQADKLFKLLETHDADKTVSFTFGALDPIHVAQMAKYLDSIYVSGWQCSSTASTSNEPSPDLADYPMDTVPNKVEHLWFAQLFHDRKQREERLTLSKEERAKTPYIDFLRPIIADADTGHGGITAIIKLTKMFIERGAAGIHIEDQAPGTKKCGHMAGKVLVPVQEHINRLVAIRASADIFGSNLLAVARTDSEAATLITSTIDHRDHYFIIGATNPEAGDLAALMAEAESKGIYGNELAAIESEWTKKAGLKLFHEAVIDEIKNGNYSNKDALIKKFTDKVNPLSHTSHKEAKKLAKELTGKDIYFNWDVARAREGYYRYQGGTQCAVMRGRAFAPYADLIWMESALPDYAQAKEFADGVKAAVPDQWLAYNLSPSFNWNKAMPADEQETYIKRLGKLGYVWQFITLAGLHTTALAVDDFSNQYSQIGMKAYGQTVQQPEIEKGVEVVKHQKWSGATYIDGLLKMVSGGVTSTAAMGQGVTEDQFKESKAKA
  
Inhibitor
Name:
BDBM50436922
Synonyms:
CHEMBL2402008
Type:
Small organic molecule
Emp. Form.:
C26H18Br4O6
Mol. Mass.:
746.034
SMILES:
COc1ccc(\C=C2/OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1 |r,c:24|
Structure:
Search PDB for entries with ligand similarity: