Reaction Details Report a problem with these data
Target
L-lactate dehydrogenase A chain
Ligand
BDBM488162
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
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:
BDBM488162
Synonyms:
(E)-2-(5-(cyclopropylmethyl)-4- (3-fluoro-4- sulfamoylbenzyl)-3-(3- (2-(5-methylthiophen-2- yl)vinyl)phenyl)-1H- pyrazol-1-yl)thiazole-4- carboxylic acid | US10954228, Compound 119
Type:
Small organic molecule
Emp. Form.:
C31H28FN4O3S3
Mol. Mass.:
619.772
SMILES:
Cc1ccc(\C=C\c2cccc(c2)-c2nn(c(CC3CC3)c2Cc2ccc(c(F)c2)[SH+](N)=O)-c2nc(cs2)C(O)=O)s1