Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM50192453
Substrate
n/a
Meas. Tech.
Nuclear Magnetic Resonance (NMR) Assay
pH
7.5±0
Temperature
294.15±0 K
Kd
6.50e+5±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:
Cell proliferation-inducing gene 19 protein | L-lactate dehydrogenase A | L-lactate dehydrogenase A Chain | LDH muscle subunit | LDH-A | LDH-M | LDHA | LDHA_HUMAN | Lactate dehydrogenase A (LDHA) | Renal carcinoma antigen NY-REN-59
Type:
Protein
Mol. Mass.:
36694.85
Organism:
Homo sapiens (Human)
Description:
P00338::PDB Code: 4ajp
Residue:
332
Sequence:
MATLKDQLIYNLLKEEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARQQEGESRLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLWGIQKELQF
  
Inhibitor
Name:
BDBM50192453
Synonyms:
AMP(2-) | Adenosine-5-monophosphate | LDHA Inhibitor, 6 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Type:
Small organic molecule
Emp. Form.:
C10H12N5O7P
Mol. Mass.:
345.2064
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O
Structure:
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