Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM50425796
Substrate
n/a
Meas. Tech.
ChEMBL_937554 (CHEMBL2320779)
IC50
2400±n/a nM
Citation
 Kohlmann, A; Zech, SG; Li, F; Zhou, T; Squillace, RM; Commodore, L; Greenfield, MT; Lu, X; Miller, DP; Huang, WS; Qi, J; Thomas, RM; Wang, Y; Zhang, S; Dodd, R; Liu, S; Xu, R; Xu, Y; Miret, JJ; Rivera, V; Clackson, T; Shakespeare, WC; Zhu, X; Dalgarno, DC Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J Med Chem 56:1023-40 (2013) [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:
BDBM50425796
Synonyms:
CHEMBL2316884
Type:
Small organic molecule
Emp. Form.:
C32H28ClFN4O9S
Mol. Mass.:
699.103
SMILES:
COc1cc(OCCCNC(=O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
Structure:
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