Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM489159
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, V; Hu, X; Jadhav, A; Jana, S; Kim, K; Kouznetsova, JL; Moore, WJ; Mott, BT; Neckers, LM; Simeonov, A; Sulikowski, GA; Urban, DJ; Yang, SM Small molecule inhibitors of lactate dehydrogenase and methods of use thereof US Patent US10961200 Publication Date 3/30/2021
More Info.:
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:
BDBM489159
Synonyms:
2-(5- (cyclopropylmethyl)- 3-(4-fluoro-3- (trifluoromethyl)phenyl)- 4-(3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid (M + H)+ = 599 | US10961200, Compound 542
Type:
Small organic molecule
Emp. Form.:
C25H19F5N4O4S2
Mol. Mass.:
598.565
SMILES:
N[S+]([O-])(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C(F)(F)F)-c2nc(cs2)C(O)=O)cc1F