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Target
L-lactate dehydrogenase A chain
Ligand
BDBM488186
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:
BDBM488186
Synonyms:
2-(5-(cyclopropylmethyl)-3-(6-fluoro- 3'-methyl-[1,1'- biphenyl]-3-yl)-4- (3-fluoro-4-sulfamoylbenzyl)-1H- (MeOD) 948; 8.17 (s, 1H), 7.77 (t, J = 15.8 Hz, 1H), 7.59-7.63 (m, 1H), 7.54-7.56 (m, 1H) 7.31 (t, J = 16 Hz, 1H), 7.08-7.23 (m, 7H), 4.19 (s, 2H), 3.32 (d, J = 4 Hz, 2H), 2.35 (s, 3H), 1.11-1.14 (m, 1H), 0.39-0.41 (m, 2H), 0.24-0.25 (m, 2H); MS (ES) m/z 621 [M + H]+; | US10954228, Compound 141
Type:
Small organic molecule
Emp. Form.:
C31H27F2N4O3S2
Mol. Mass.:
605.697
SMILES:
Cc1cccc(c1)-c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)[SH+](N)=O)-c1nc(cs1)C(O)=O
Structure:
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