Reaction Details  Report a problem with these data
Target
L-lactate dehydrogenase B chain
Ligand
BDBM489160
Substrate
n/a
Meas. Tech.
Inhibition of LDHB Activity
IC50
<100±n/a nM
Citation
 Hall, M; Urban, DJ; Knight, J; Holmes, R; Wood, KD; Waterson, A; Darley-Usmar, VM; Neckers, LM Treating primary or idiopathic hyperoxaluria with small molecule inhibitors of lactate dehydrogenase US Patent  US11752138 Publication Date 9/12/2023
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:
BDBM489160
Synonyms:
2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5- (cyclopropylmethyl)- 4-(3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4-carboxylic acid | US10961200, Compound 543 | US11247971, Cmpd ID 543 | US11752138, Compound 147
Type:
Small organic molecule
Emp. Form.:
C29H29F2N5O5S2
Mol. Mass.:
629.698
SMILES:
CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: