Target
L-lactate dehydrogenase A chain
Ligand
BDBM50425798
Substrate
n/a
Meas. Tech.
ChEMBL_937556 (CHEMBL2320781)
IC50
220±n/a nM
Citation
 Kohlmann, AZech, SGLi, FZhou, TSquillace, RMCommodore, LGreenfield, MTLu, XMiller, DPHuang, WSQi, JThomas, RMWang, YZhang, SDodd, RLiu, SXu, RXu, YMiret, JJRivera, VClackson, TShakespeare, WCZhu, XDalgarno, 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:
BDBM50425798
Synonyms:
CHEMBL2316886
Type:
Small organic molecule
Emp. Form.:
C33H31ClFN3O12S
Mol. Mass.:
748.129
SMILES:
COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r|
Structure:
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