Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase
Ligand
BDBM23228
Substrate
BDBM23230
Meas. Tech.
Lactate Dehydrogenase Inhibition Assay
IC50
86900±n/a nM
Citation
Choi, SR; Pradhan, A; Hammond, NL; Chittiboyina, AG; Tekwani, BL; Avery, MA Design, synthesis, and biological evaluation of Plasmodium falciparum lactate dehydrogenase inhibitors. J Med Chem 50:3841-50 (2007) [PubMed] Article
More Info.:
Target
Name:
L-lactate dehydrogenase
Synonyms:
Malate Dehydrogenase (pfMDH) | Malic dehydrogenase | pfMDH
Type:
Oxidoreductase
Mol. Mass.:
34043.75
Organism:
Plasmodium falciparum
Description:
n/a
Residue:
313
Sequence:
MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK
Inhibitor
Name:
BDBM23228
Synonyms:
Oxamic acid derivative, 6 | [(2-cyano-4-{2-[(5-hydroxy-2-{[(4-methoxyphenyl)methyl]carbamoyl}-4-oxo-4H-chromen-7-yl)oxy]ethyl}phenyl)carbamoyl]formic acid
Type:
Small organic molecule
Emp. Form.:
C29H23N3O9
Mol. Mass.:
557.5076
SMILES:
COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1