Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM50597909
Substrate
n/a
Meas. Tech.
ChEMBL_2224765 (CHEMBL5138278)
IC50
2.7±n/a nM
Citation
 Wei, B; Robarge, K; Labadie, SS; Chen, J; Corson, LB; DiPasquale, A; Dragovich, PS; Eigenbrot, C; Evangelista, M; Fauber, BP; Hitz, A; Hong, R; Lai, KW; Liu, W; Ma, S; Malek, S; O'Brien, T; Pang, J; Peterson, D; Salphati, L; Sampath, D; Sideris, S; Ultsch, M; Xu, Z; Yen, I; Yu, D; Yue, Q; Zhou, A; Purkey, HE Structure-based optimization of hydroxylactam as potent, cell-active inhibitors of lactate dehydrogenase. Bioorg Med Chem Lett 59:0 (2022) [PubMed] 
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:
BDBM50597909
Synonyms:
CHEMBL5196929
Type:
Small organic molecule
Emp. Form.:
C32H28ClF2N5O3S
Mol. Mass.:
636.111
SMILES:
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1cccc(NC2CCOCC2)n1)c1cccc(Nc2ccc(F)c(F)c2)n1 |c:1|
Structure:
Search PDB for entries with ligand similarity: