Reaction Details  Report a problem with these data
Target
L-lactate dehydrogenase B chain
Ligand
BDBM489092
Substrate
n/a
Meas. Tech.
ChEMBL_2109292 (CHEMBL4817967)
IC50
3000±n/a nM
Citation
 Christov, PP; Kim, K; Jana, S; Romaine, IM; Rai, G; Mott, BT; Allweil, AA; Lamers, A; Brimacombe, KR; Urban, DJ; Lee, TD; Hu, X; Lukacs, CM; Davies, DR; Jadhav, A; Hall, MD; Green, N; Moore, WJ; Stott, GM; Flint, AJ; Maloney, DJ; Sulikowski, GA; Waterson, AG Optimization of ether and aniline based inhibitors of lactate dehydrogenase. Bioorg Med Chem Lett 41:0 (2021) [PubMed]  Article
Target
Name:
L-lactate dehydrogenase B chain
Synonyms:
L-lactate dehydrogenase B | L-lactate dehydrogenase B chain | LDH heart subunit | LDH-B | LDH-H | LDHB | LDHB_HUMAN | Lactate dehydrogenase B (LDHB) | Renal carcinoma antigen NY-REN-46
Type:
Oxidoreductase; homotetramer
Mol. Mass.:
36635.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
334
Sequence:
MATLKEKLIAPVAEEEATVPNNKITVVGVGQVGMACAISILGKSLADELALVDVLEDKLKGEMMDLQHGSLFLQTPKIVADKDYSVTANSKIVVVTAGVRQQEGESRLNLVQRNVNVFKFIIPQIVKYSPDCIIIVVSNPVDILTYVTWKLSGLPKHRVIGSGCNLDSARFRYLMAEKLGIHPSSCHGWILGEHGDSSVAVWSGVNVAGVSLQELNPEMGTDNDSENWKEVHKMVVESAYEVIKLKGYTNWAIGLSVADLIESMLKNLSRIHPVSTMVKGMYGIENEVFLSLPCILNARGLTSVINQKLKDDEVAQLKKSADTLWDIQKDLKDL
  
Inhibitor
Name:
BDBM489092
Synonyms:
2-(3-(3- cydopropoxy-4- fluorophenyl)-5- (cyclopropylmethyl)- 4-(3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4- carboxylic acid; | US10961200, Compound 471 | US11247971, Cmpd ID 471
Type:
Small organic molecule
Emp. Form.:
C27H24F2N4O5S2
Mol. Mass.:
586.63
SMILES:
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(OC3CC3)c2)-c2nc(cs2)C(O)=O)cc1F
Structure:
Search PDB for entries with ligand similarity: