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Target
L-lactate dehydrogenase A chain
Ligand
BDBM50524664
Substrate
n/a
Meas. Tech.
ChEMBL_1894311 (CHEMBL4396232)
EC50
4100±n/a nM
Citation
 Zhou, Y; Tao, P; Wang, M; Xu, P; Lu, W; Lei, P; You, Q Development of novel human lactate dehydrogenase A inhibitors: High-throughput screening, synthesis, and biological evaluations. Eur J Med Chem 177:105-115 (2019) [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:
BDBM50524664
Synonyms:
CHEMBL4441824
Type:
Small organic molecule
Emp. Form.:
C21H27N3O4
Mol. Mass.:
385.4568
SMILES:
COc1ccccc1OCC(=O)NC1CCC(CC1)Oc1nc(C)cc(C)n1 |(70.69,-58.35,;71.47,-57.02,;73.01,-57.03,;73.77,-58.37,;75.31,-58.37,;76.08,-57.04,;75.32,-55.72,;73.78,-55.71,;73.02,-54.37,;73.8,-53.04,;75.34,-53.05,;76.1,-54.39,;76.12,-51.72,;77.66,-51.73,;78.44,-50.4,;79.98,-50.41,;80.74,-51.75,;79.96,-53.08,;78.42,-53.07,;82.28,-51.76,;83.06,-50.43,;84.6,-50.44,;85.37,-49.11,;86.91,-49.12,;84.61,-47.77,;83.07,-47.76,;82.31,-46.42,;82.29,-49.09,)|
Structure:
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