Target
NADP-dependent malic enzyme
Ligand
BDBM50177182
Substrate
n/a
Meas. Tech.
ChEMBL_332006 (CHEMBL859587)
IC50
>20000±n/a nM
Citation
 Zhang, YJWang, ZSprous, DNabioullin, 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:
BDBM50177182
Synonyms:
1-benzyl-3-(4-(4-methoxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione | CHEMBL202273
Type:
Small organic molecule
Emp. Form.:
C22H25N3O3
Mol. Mass.:
379.4522
SMILES:
COc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O
Structure:
Search PDB for entries with ligand similarity: