Reaction Details Report a problem with these data
Target
NADP-dependent malic enzyme
Ligand
BDBM50177180
Substrate
n/a
Meas. Tech.
ChEMBL_332006 (CHEMBL859587)
IC50
150±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:
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: