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Target
NADP-dependent malic enzyme
Ligand
BDBM50177184
Substrate
n/a
Meas. Tech.
ChEMBL_332006 (CHEMBL859587)
IC50
560±n/a nM
Citation
 Zhang, YJ; Wang, Z; Sprous, D; Nabioullin, R In silico design and synthesis of piperazine-1-pyrrolidine-2,5-dione scaffold-based novel malic enzyme inhibitors. Bioorg Med Chem Lett 16:525-8 (2005) [PubMed]  Article 
Target
Name:
NADP-dependent malic enzyme
Synonyms:
MAOX_HUMAN | ME1
Type:
PROTEIN
Mol. Mass.:
64145.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_332006
Residue:
572
Sequence:
MEPEAPRRRHTHQRGYLLTRNPHLNKDLAFTLEERQQLNIHGLLPPSFNSQEIQVLRVVKNFEHLNSDFDRYLLLMDLQDRNEKLFYRVLTSDIEKFMPIVYTPTVGLACQQYSLVFRKPRGLFITIHDRGHIASVLNAWPEDVIKAIVVTDGERILGLGDLGCNGMGIPVGKLALYTACGGMNPQECLPVILDVGTENEELLKDPLYIGLRQRRVRGSEYDDFLDEFMEAVSSKYGMNCLIQFEDFANVNAFRLLNKYRNQYCTFNDDIQGTASVAVAGLLAALRITKNKLSDQTILFQGAGEAALGIAHLIVMALEKEGLPKEKAIKKIWLVDSKGLIVKGRASLTQEKEKFAHEHEEMKNLEAIVQEIKPTALIGVAAIGGAFSEQILKDMAAFNERPIIFALSNPTSKAECSAEQCYKITKGRAIFASGSPFDPVTLPNGQTLYPGQGNNSYVFPGVALGVVACGLRQITDNIFLTTAEVIAQQVSDKHLEEGRLYPPLNTIRDVSLKIAEKIVKDAYQEKTATVYPEPQNKEAFVRSQMYSTDYDQILPDCYSWPEEVQKIQTKVDQ
  
Inhibitor
Name:
BDBM50177184
Synonyms:
1-(3-chloro-4-methylphenyl)3-(4-(4-hydroxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione | CHEMBL202332
Type:
Small organic molecule
Emp. Form.:
C21H22ClN3O3
Mol. Mass.:
399.871
SMILES:
Cc1ccc(cc1Cl)-n1c(O)cc(N2CCN(CC2)c2ccc(O)cc2)c1O
Structure:
Search PDB for entries with ligand similarity: