Reaction Details Report a problem with these data
Target
Isocitrate lyase
Ligand
BDBM50479459
Substrate
n/a
Meas. Tech.
ChEMBL_538915 (CHEMBL1033960)
IC50
112000±n/a nM
Citation
 Jung, M; Jang, KH; Kim, B; Lee, BH; Choi, BW; Oh, KB; Shin, J Meroditerpenoids from the brown alga Sargassum siliquastrum. J Nat Prod 71:1714-9 (2008) [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:
BDBM50479459
Synonyms:
CHEMBL522088
Type:
Small organic molecule
Emp. Form.:
C27H40O5
Mol. Mass.:
444.6035
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6](=O)-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]-[#6]-c1cc(-[#8])cc(-[#6])c1-[#8]
Structure:
Search PDB for entries with ligand similarity: