Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM50524655
Substrate
n/a
Meas. Tech.
ChEMBL_1894311 (CHEMBL4396232)
EC50
1200±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:
BDBM50524655
Synonyms:
CHEMBL4450110
Type:
Small organic molecule
Emp. Form.:
C22H27N3O3
Mol. Mass.:
381.4681
SMILES:
CC1CCC(CC1)c1nc(C)cc(OCC(=O)Nc2ccc(cc2)C(C)=O)n1 |(42.44,-36.62,;41.1,-35.85,;39.77,-36.61,;38.44,-35.85,;38.44,-34.31,;39.76,-33.53,;41.1,-34.3,;37.1,-33.55,;37.1,-32.01,;35.75,-31.24,;35.74,-29.7,;34.43,-32.02,;34.44,-33.55,;33.11,-34.32,;33.12,-35.86,;31.79,-36.64,;31.79,-38.18,;30.45,-35.87,;29.12,-36.65,;29.13,-38.2,;27.79,-38.97,;26.46,-38.2,;26.46,-36.66,;27.79,-35.89,;25.12,-38.97,;25.12,-40.51,;23.79,-38.2,;35.77,-34.32,)|
Structure:
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