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Target
L-lactate dehydrogenase A chain
Ligand
BDBM50250654
Substrate
n/a
Meas. Tech.
ChEMBL_1682053 (CHEMBL4032330)
IC50
110±n/a nM
Citation
 Rai, G; Brimacombe, KR; Mott, BT; Urban, DJ; Hu, X; Yang, SM; Lee, TD; Cheff, DM; Kouznetsova, J; Benavides, GA; Pohida, K; Kuenstner, EJ; Luci, DK; Lukacs, CM; Davies, DR; Dranow, DM; Zhu, H; Sulikowski, G; Moore, WJ; Stott, GM; Flint, AJ; Hall, MD; Darley-Usmar, VM; Neckers, LM; Dang, CV; Waterson, AG; Simeonov, A; Jadhav, A; Maloney, DJ Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J Med Chem 60:9184-9204 (2017) [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:
BDBM50250654
Synonyms:
CHEMBL4082867 | US10961200, Compound 187 | US11247971, Cmpd ID 187
Type:
Small organic molecule
Emp. Form.:
C28H22N4O5S2
Mol. Mass.:
558.628
SMILES:
NS(=O)(=O)c1ccc(Oc2c(nn(-c3nc(cs3)C(O)=O)c2C2CC2)-c2cccc(c2)-c2ccccc2)cc1
Structure:
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