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Target
L-lactate dehydrogenase A chain
Ligand
BDBM50569441
Substrate
n/a
Meas. Tech.
ChEMBL_2109290 (CHEMBL4817965)
IC50
22±n/a nM
Citation
 Christov, PP; Kim, K; Jana, S; Romaine, IM; Rai, G; Mott, BT; Allweil, AA; Lamers, A; Brimacombe, KR; Urban, DJ; Lee, TD; Hu, X; Lukacs, CM; Davies, DR; Jadhav, A; Hall, MD; Green, N; Moore, WJ; Stott, GM; Flint, AJ; Maloney, DJ; Sulikowski, GA; Waterson, AG Optimization of ether and aniline based inhibitors of lactate dehydrogenase. Bioorg Med Chem Lett 41:0 (2021) [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:
BDBM50569441
Synonyms:
CHEMBL4875236
Type:
Small organic molecule
Emp. Form.:
C29H27F2N5O6S2
Mol. Mass.:
643.681
SMILES:
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(=O)N2CCOCC2)-c2nc(cs2)C(O)=O)cc1F
Structure:
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