Reaction Details Report a problem with these data
Target
Carbapenem-hydrolyzing beta-lactamase KPC
Ligand
BDBM428643
Substrate
n/a
Meas. Tech.
Test for beta-lactamase Inhibitory Activity
IC50
91.0±n/a nM
Citation
 Maiti, SN; Nguyen, D; Khan, J; Ling, R Bicyclic compounds and their use as antibacterial agents and β-lactamase inhibitors US Patent  US10544146 Publication Date 1/28/2020 
Target
Name:
Carbapenem-hydrolyzing beta-lactamase KPC
Synonyms:
BLKPC_KLEOX | Carbapenem-hydrolyzing beta-lactamase KPC-2 | bla | kpc | kpc2
Type:
Protein
Mol. Mass.:
31116.99
Organism:
n/a
Description:
Q848S6
Residue:
293
Sequence:
MSLYRRLVLLSCLSWPLAGFSATALTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
 
Inhibitor
Name:
BDBM428643
Synonyms:
US10544146, Ex. 40
Type:
Small organic molecule
Emp. Form.:
C9H14N4O7S
Mol. Mass.:
322.295
SMILES:
CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
Structure:
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