Reaction Details  Report a problem with these data
Target
Putative glyoxylate/hydroxypyruvate reductase B
Ligand
BDBM392795
Substrate
n/a
Meas. Tech.
in vitro DltA activity assay
IC50
4.00±n/a nM
Citation
 Atamanyuk, D; Chevreuil, F; Faivre, F; Lecointe, N; Ledoussal, B; Oliveira, C; Simon, C; Gerusz, V Heteroaromatic derivatives and their use as pharmaceuticals US Patent  US10301305 Publication Date 5/28/2019
Target
Name:
Putative glyoxylate/hydroxypyruvate reductase B
Synonyms:
AAD21956.1 | D-alanine--D-alanyl carrier protein ligase | dltA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
35346.87
Organism:
Staphylococcus aureus (strain SA113)
Description:
n/a
Residue:
319
Sequence:
MVKIVVSRKIPDKFYQQLSKLGDVVMWQKSLVPMPKDQFVTALRDADACFITLSEQIDAEILAQSPNLKVIANMAVGYDNIDVESATANNVVVTNTPNVLTETTAELGFTLMLAIARRIVEAEKYVEADAWQSWGPYLLSGKDVFNSTIGIYGMGDIGKAFARRLQGFNTNILYHNRSRHKDAEADFNATYVSFETLLAESDFIICTAPLTKETHHKFNAEAFEQMKNDAIFINIGRGQIVDETALIDALDNKEILACGLDVLANEPIDHTHPLMGRDNVLITPHIGSASVTTRDNMIQLCINNIEAVMTNQVPHTPVN
  
Inhibitor
Name:
BDBM392795
Synonyms:
7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-benzimidazole-4-carboxamide methanesulfonic acid salt | US10301305, Example 214
Type:
Small organic molecule
Emp. Form.:
C26H29FN6O2
Mol. Mass.:
476.5459
SMILES:
NC(=O)c1c(OCC2CCCN2)cc(-c2ccc3n(cnc3c2)[C@@H]2CCCC[C@H]2F)c2nc[nH]c12 |r|
Structure:
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