Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM50524668
Substrate
n/a
Meas. Tech.
ChEMBL_1894311 (CHEMBL4396232)
EC50
2900±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:
BDBM50524668
Synonyms:
CHEMBL4445248
Type:
Small organic molecule
Emp. Form.:
C18H24N6O3
Mol. Mass.:
372.4216
SMILES:
CN(C)c1cncc(OC2CCN(C2)C(=O)Cn2cnc(C)c(C)c2=O)n1
Structure:
Search PDB for entries with ligand similarity: