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Target
L-lactate dehydrogenase A chain
Ligand
BDBM488198
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
<100±n/a nM
Citation
 Maloney, DJ; Waterson, AG; Bantukallu, GR; Brimacombe, KR; Christov, P; Dang, CV; Darley-Usmar, VM; Hall, M; Hu, X; Jadhav, A; Jana, S; Kim, K; Moore, WJ; Mott, BT; Neckers, LM; Simeonov, A; Sulikowski, GA; Urban, DJ; Yang, SM 1 H-pyrazol-1-yl-thiazoles as inhibitors of lactate dehydrogenase and methods of use thereof US Patent  US10954228 Publication Date 3/23/2021 
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:
BDBM488198
Synonyms:
2-(5-(cyclopropylmethyl)-3- (6-fluoro-3',5'-dimethoxy- [1,1'-biphenyl]-3-yl)-4-(3- fluoro-4-sulfamoylbenzyl)- 1H-pyrazol-1-yl)thiazole-4- carboxylic acid | US10954228, Compound 153
Type:
Small organic molecule
Emp. Form.:
C32H29F2N4O5S2
Mol. Mass.:
651.723
SMILES:
COc1cc(OC)cc(c1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)[SH+](N)=O)-c1nc(cs1)C(O)=O
Structure:
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