Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM86117
Substrate
n/a
Meas. Tech.
Nuclear Magnetic Resonance (NMR) Assay
pH
7.5±0
Kd
1.000e+6±n/a nM
Citation
 Ward, RA; Brassington, C; Breeze, AL; Caputo, A; Critchlow, S; Davies, G; Goodwin, L; Hassall, G; Greenwood, R; Holdgate, GA; Mrosek, M; Norman, RA; Pearson, S; Tart, J; Tucker, JA; Vogtherr, M; Whittaker, D; Wingfield, J; Winter, J; Hudson, K Design and synthesis of novel lactate dehydrogenase a inhibitors by fragment-based lead generation. J Med Chem 55:3285-306 (2012) [PubMed]  Article 
Target
Name:
L-lactate dehydrogenase A chain
Synonyms:
L-lactate dehydrogenase A | L-lactate dehydrogenase A chain | LDHA_RAT | Ldh-1 | Ldh1 | Ldha
Type:
Protein
Mol. Mass.:
36456.12
Organism:
Rattus norvegicus (Rat)
Description:
P04642::PDB Codes: 4ajl, 4aj2, 4aje, 4aji, 4ajk, 4ajh, 4ajl, 4al4, 4ajh, 4ajo
Residue:
332
Sequence:
MAALKDQLIVNLLKEEQVPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLKTPKIVSSKDYSVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFIIPNVVKYSPQCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGVNVAGVSLKSLNPQLGTDADKEQWKDVHKQVVDSAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPISTMIKGLYGIKEDVFLSVPCILGQNGISDVVKVTLTPDEEARLKKSADTLWGIQKELQF
  
Inhibitor
Name:
BDBM86117
Synonyms:
LDHA Inhibitor, 12
Type:
Small organic molecule
Emp. Form.:
C10H11N3OS
Mol. Mass.:
221.279
SMILES:
CNc1nc2ccc(NC(C)=O)cc2s1
Structure:
Search PDB for entries with ligand similarity: