Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM98847
Substrate
BDBM98856
Meas. Tech.
Spectrophotometric Assay
IC50
2±0.0 nM
Citation
Blizzard, TA; Chen, H; Gude, C; Hermes, JD; Imbriglio, J; Kim, S; Wu, JY; Mortko, CJ; Mangion, I; Rivera, N; Ruck, RT; Shevlin, M Beta-lactamase inhibitors US Patent US8487093 Publication Date 7/16/2013
More Info.:
Target
Name:
Beta-lactamase
Synonyms:
Beta-lactamase (KPC-2)
Type:
Enzyme
Mol. Mass.:
27537.23
Organism:
Klebsiella pneumoniae
Description:
I7AKP2
Residue:
260
Sequence:
ATALTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKYSEAVIAAAA
Inhibitor
Name:
BDBM98847
Synonyms:
US8487093, 266
Type:
Small organic molecule
Emp. Form.:
C14H17N3O7S
Mol. Mass.:
371.366
SMILES:
NCc1ccc(OC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|