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Target
NADP-dependent malic enzyme, mitochondrial
Ligand
BDBM50177180
Substrate
n/a
Meas. Tech.
ChEMBL_2265897
IC50
150±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:
Human
Description:
ChEMBL_102459
Residue:
604
Sequence:
MGAALGTGTRLAPWPGRACGALPRWTPTAPAQGCHSKPGPARPVPLKKRGYDVTRNPHLNKGMAFTLEERLQLGIHGLIPPCFLSQDVQLLRIMRYYERQQSDLDKYIILMTLQDRNEKLFYRVLTSDVEKFMPIVYTPTVGLACQHYGLTFRRPRGLFITIHDKGHLATMLNSWPEDNIKAVVVTDGERILGLGDLGCYGMGIPVGKLALYTACGGVNPQQCLPVLLDVGTNNEELLRDPLYIGLKHQRVHGKAYDDLLDEFMQAVTDKFGINCLIQFEDFANANAFRLLNKYRNKYCMFNDDIQGTASVAVAGILAALRITKNKLSNHVFVFQGAGEAAMGIAHLLVMALEKEGVPKAEATRKIWMVDSKGLIVKGRSHLNHEKEMFAQDHPEVNSLEEVVRLVKPTAIIGVAAIAGAFTEQILRDMASFHERPIIFALSNPTSKAECTAEKCYRVTEGRGIFASGSPFKSVTLEDGKTFIPGQGNNAYVFPGVALGVIAGGIRHIPDEIFLLTAEQIAQEVSEQHLSQGRLYPPLSTIRDVSLRIAIKVLDYAYKHNLASYYPEPKDKEAFVRSLVYTPDYDSFTLDSYTWPKEAMNVQTV
  
Inhibitor
Name:
BDBM50177180
Synonyms:
3-(4-(4-hydroxyphenyl)piperazin-1-yl)-1-phenylpyrrolidine-2,5-dione | CHEMBL372408
Type:
Small organic molecule
Emp. Form.:
C20H21N3O3
Mol. Mass.:
351.399
SMILES:
Oc1cc(N2CCN(CC2)c2ccc(O)cc2)c(O)n1-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: