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Target
Isocitrate lyase
Ligand
BDBM50480798
Substrate
n/a
Meas. Tech.
ChEMBL_587468 (CHEMBL1042189)
IC50
>188000±n/a nM
Citation
 Song, J; Jeong, W; Wang, N; Lee, HS; Sim, CJ; Oh, KB; Shin, J Scalarane sesterterpenes from the sponge Smenospongia sp. J Nat Prod 71:1866-71 (2008) [PubMed]  Article 
Target
Name:
Isocitrate lyase
Synonyms:
ACEA_MAGO7 | ICL | ICL1 | Isocitrase | Isocitratase
Type:
PROTEIN
Mol. Mass.:
61002.51
Organism:
Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae)
Description:
ChEMBL_438441
Residue:
547
Sequence:
MASKNMVNPAVEPSMEDDLFAREVAEVKQWWSDPRWRYTKRPFTAEQIVSKRGNLKIEYPSNAQSKKLWKILEGRFQKRDASYTYGCLEPTMVTQMAKYLDTVYVSGWQSSSTASSSDEPGPDLADYPYTTVPNKVSHLFMAQLFHDRKQRHERLSAPKSERSKLQNIDYLRPIIADADTGHGGLTAVMKLTKLFIEKGAAGIHIEDQAPGTKKCGHMAGKVLVPISEHINRLVAIRAQADIMGVDLLAIARTDAEAATLITTSIDPRDHAFILGCTNPSLQPLADLMNTAEQSGKTGDQLQAIEDEWMAKANLKRFDDAVVDVINSSSSIRNPKDVAAKYLQAAKGKSNREARAIASSLGVPEIFFDWDSPRTREGYFRIKGGCDCAINRAIAYAPYADAIWMESKLPDYEQAKEFAEGVHAVYPEQKLAYNLSPSFNWKTAMPRDEQETYIRRLAGLGYCWQFITLAGLHTTALISDRFARAYSEVGMRAYGELVQEPEMELGVDVVKHQKWSGATYVDELQKMVTGGVSSTAAMGKGVTEDQFH
  
Inhibitor
Name:
BDBM50480798
Synonyms:
12-deacetoxy-23-O-acetoxyheteronemin | CHEMBL577464
Type:
Small organic molecule
Emp. Form.:
C31H46O7
Mol. Mass.:
530.6927
SMILES:
[H][C@]12[C@H](OC(C)=O)OC=C1[C@H](C[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21COC(C)=O)OC(C)=O |r,c:8|
Structure:
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