Reaction Details Report a problem with these data
Target
Malate dehydrogenase, cytoplasmic
Ligand
BDBM23228
Substrate
BDBM23230
Meas. Tech.
Lactate Dehydrogenase Inhibition Assay
IC50
10900±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 
Target
Name:
Malate dehydrogenase, cytoplasmic
Synonyms:
Cytosolic malate dehydrogenase | MDH1 | MDHC_PIG | Malate Dehydrogenase, cytoplasmic | Malate dehydrogenase cytoplasmic
Type:
Oxidoreductase; homodimer
Mol. Mass.:
36453.77
Organism:
Sus scrofa (pig)
Description:
Porcine heart cytoplasmic fraction.
Residue:
334
Sequence:
MSEPIRVLVTGAAGQIAYSLLYSIGNGSVFGKDQPIILVLLDITPMMGVLDGVLMELQDCALPLLKDVIATDKEEIAFKDLDVAILVGSMPRRDGMERKDLLKANVKIFKCQGAALDKYAKKSVKVIVVGNPANTNCLTASKSAPSIPKENFSCLTRLDHNRAKAQIALKLGVTSDDVKNVIIWGNHSSTQYPDVNHAKVKLQAKEVGVYEAVKDDSWLKGEFITTVQQRGAAVIKARKLSSAMSAAKAICDHVRDIWFGTPEGEFVSMGIISDGNSYGVPDDLLYSFPVTIKDKTWKIVEGLPINDFSREKMDLTAKELAEEKETAFEFLSSA
  
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
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23230
Synonyms:
2-Oxosuccinic acid | 2-oxobutanedioic acid | Oxaloacetate | Oxaloacetic acid | keto-Oxaloacetate
Type:
Small organic molecule
Emp. Form.:
C4H4O5
Mol. Mass.:
132.0716
SMILES:
OC(=O)CC(=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: