Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM50534313
Substrate
n/a
Meas. Tech.
ChEMBL_1928156 (CHEMBL4431228)
IC50
42±n/a nM
Citation
 Purkey, HE; Robarge, K; Chen, J; Chen, Z; Corson, LB; Ding, CZ; DiPasquale, AG; Dragovich, PS; Eigenbrot, C; Evangelista, M; Fauber, BP; Gao, Z; Ge, H; Hitz, A; Ho, Q; Labadie, SS; Lai, KW; Liu, W; Liu, Y; Li, C; Ma, S; Malek, S; O'Brien, T; Pang, J; Peterson, D; Salphati, L; Sideris, S; Ultsch, M; Wei, B; Yen, I; Yue, Q; Zhang, H; Zhou, A Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. ACS Med Chem Lett 7:896-901 (2016) [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:
BDBM50534313
Synonyms:
CHEMBL4444202
Type:
Small organic molecule
Emp. Form.:
C21H16ClNO3S2
Mol. Mass.:
429.94
SMILES:
OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(O)c1 |c:1|
Structure:
Search PDB for entries with ligand similarity: