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Target
NADP-dependent malic enzyme, mitochondrial
Ligand
BDBM50405819
Substrate
n/a
Meas. Tech.
ChEMBL_2265897
IC50
410±n/a nM
Citation
 Sheth, G; Shah, SR; Sengupta, P; Jarag, T; Chimanwala, S; Sairam, KVVM; Jain, V; Talwar, R; Dhanave, A; Raviya, M; Menon, S; Trivedi, S; Chitturi, TR In the Quest for Potent and Selective Malic Enzyme 3 Inhibitors for the Treatment of Pancreatic Ductal Adenocarcinoma. ACS Med Chem Lett 14:41-50 (2023) [PubMed] 
Target
Name:
NADP-dependent malic enzyme, mitochondrial
Synonyms:
1.1.1.40 | ME3 | Malic enzyme 3 | NADP-ME | NADP-dependent malic enzyme, mitochondrial
Type:
PROTEIN
Mol. Mass.:
67079.26
Organism:
Homo sapiens
Description:
ChEMBL_102459
Residue:
604
Sequence:
MGAALGTGTRLAPWPGRACGALPRWTPTAPAQGCHSKPGPARPVPLKKRGYDVTRNPHLNKGMAFTLEERLQLGIHGLIPPCFLSQDVQLLRIMRYYERQQSDLDKYIILMTLQDRNEKLFYRVLTSDVEKFMPIVYTPTVGLACQHYGLTFRRPRGLFITIHDKGHLATMLNSWPEDNIKAVVVTDGERILGLGDLGCYGMGIPVGKLALYTACGGVNPQQCLPVLLDVGTNNEELLRDPLYIGLKHQRVHGKAYDDLLDEFMQAVTDKFGINCLIQFEDFANANAFRLLNKYRNKYCMFNDDIQGTASVAVAGILAALRITKNKLSNHVFVFQGAGEAAMGIAHLLVMALEKEGVPKAEATRKIWMVDSKGLIVKGRSHLNHEKEMFAQDHPEVNSLEEVVRLVKPTAIIGVAAIAGAFTEQILRDMASFHERPIIFALSNPTSKAECTAEKCYRVTEGRGIFASGSPFKSVTLEDGKTFIPGQGNNAYVFPGVALGVIAGGIRHIPDEIFLLTAEQIAQEVSEQHLSQGRLYPPLSTIRDVSLRIAIKVLDYAYKHNLASYYPEPKDKEAFVRSLVYTPDYDSFTLDSYTWPKEAMNVQTV
  
Inhibitor
Name:
BDBM50405819
Synonyms:
CHEMBL5282439
Type:
Small organic molecule
Emp. Form.:
C18H20FN3O2
Mol. Mass.:
329.3687
SMILES:
Oc1ccc(nc1)N1CCN(CC1)C(=O)CCc1ccc(F)cc1
Structure:
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