Reaction Details  Report a problem with these data
Target
L-lactate dehydrogenase B chain
Ligand
BDBM616918
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:
BDBM616918
Synonyms:
2-(5-(cyclopropylmethyl)-4-(3-fluoro-4-sulfamoylbenzyl)-3- (3-((cis)-3-(5-methylthiophen-2-yl)cyclobutyl)phenyl)-1H- pyrazol-1-yl)thiazole-4-carboxylic acid | US11752138, Compound 132
Type:
Small organic molecule
Emp. Form.:
C33H31FN4O4S3
Mol. Mass.:
662.817
SMILES:
Cc1ccc(s1)[C@H]1C[C@H](C1)c1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O |r,wU:8.11,6.6,(10.71,3.98,;9.38,3.21,;8.9,1.74,;7.36,1.74,;6.89,3.21,;8.13,4.11,;5.4,3.6,;4.07,2.83,;3.3,4.17,;4.63,4.94,;1.81,4.57,;1.41,6.05,;-.08,6.45,;-1.17,5.36,;-.77,3.88,;.72,3.48,;-1.86,2.79,;-3.32,3.26,;-4.23,2.02,;-3.32,.77,;-3.72,-.72,;-5.21,-1.11,;-6.69,-.72,;-6.3,-2.2,;-1.86,1.25,;-.52,.48,;-.52,-1.06,;-1.86,-1.83,;-1.86,-3.37,;-.52,-4.14,;.81,-3.37,;2.14,-4.14,;.81,-1.83,;-.52,-5.68,;.81,-6.45,;-1.86,-6.45,;-1.86,-4.91,;-5.77,2.02,;-6.67,.77,;-8.14,1.25,;-8.14,2.79,;-6.67,3.26,;-9.23,.16,;-10.71,.56,;-8.83,-1.33,)|
Structure:
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