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Target
L-lactate dehydrogenase A chain
Ligand
BDBM50569439
Substrate
n/a
Meas. Tech.
ChEMBL_2109290 (CHEMBL4817965)
IC50
37±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:
BDBM50569439
Synonyms:
CHEMBL4869869 | US11752138, Compound 158
Type:
Small organic molecule
Emp. Form.:
C32H34F2N6O4S2
Mol. Mass.:
668.777
SMILES:
CC(C)N1CC2(C1)CN(C2)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Structure:
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