Reaction Details Report a problem with these data
Target
NADP-dependent malic enzyme
Ligand
BDBM50405812
Substrate
n/a
Meas. Tech.
ChEMBL_2265899
IC50
1500±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
Synonyms:
MAOX_HUMAN | ME1
Type:
PROTEIN
Mol. Mass.:
64145.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_332006
Residue:
572
Sequence:
MEPEAPRRRHTHQRGYLLTRNPHLNKDLAFTLEERQQLNIHGLLPPSFNSQEIQVLRVVKNFEHLNSDFDRYLLLMDLQDRNEKLFYRVLTSDIEKFMPIVYTPTVGLACQQYSLVFRKPRGLFITIHDRGHIASVLNAWPEDVIKAIVVTDGERILGLGDLGCNGMGIPVGKLALYTACGGMNPQECLPVILDVGTENEELLKDPLYIGLRQRRVRGSEYDDFLDEFMEAVSSKYGMNCLIQFEDFANVNAFRLLNKYRNQYCTFNDDIQGTASVAVAGLLAALRITKNKLSDQTILFQGAGEAALGIAHLIVMALEKEGLPKEKAIKKIWLVDSKGLIVKGRASLTQEKEKFAHEHEEMKNLEAIVQEIKPTALIGVAAIGGAFSEQILKDMAAFNERPIIFALSNPTSKAECSAEQCYKITKGRAIFASGSPFDPVTLPNGQTLYPGQGNNSYVFPGVALGVVACGLRQITDNIFLTTAEVIAQQVSDKHLEEGRLYPPLNTIRDVSLKIAEKIVKDAYQEKTATVYPEPQNKEAFVRSQMYSTDYDQILPDCYSWPEEVQKIQTKVDQ
  
Inhibitor
Name:
BDBM50405812
Synonyms:
CHEMBL5281297
Type:
Small organic molecule
Emp. Form.:
C18H21N3O2
Mol. Mass.:
311.3782
SMILES:
Oc1ccc(nc1)N1CCN(CC1)C(=O)CCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: