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Target
Isocitrate lyase
Ligand
BDBM50351168
Substrate
n/a
Meas. Tech.
ChEMBL_764160 (CHEMBL1821371)
IC50
87000±n/a nM
Citation
 Bae, J; Jeon, JE; Lee, YJ; Lee, HS; Sim, CJ; Oh, KB; Shin, J Sesterterpenes from the tropical sponge Coscinoderma sp. J Nat Prod 74:1805-11 (2011) [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:
BDBM50351168
Synonyms:
CHEMBL1818104
Type:
Small organic molecule
Emp. Form.:
C27H43O7S
Mol. Mass.:
511.692
SMILES:
CO[C@@H]1O[C@H](OC)C(CC[C@H]2\C(CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)=C\OS([O-])(=O)=O)=C1 |r,c:36|
Structure:
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