Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM98739
Substrate
BDBM98856
Meas. Tech.
Spectrophotometric Assay
IC50
270±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:
BDBM98739
Synonyms:
US8487093, 86
Type:
Small organic molecule
Emp. Form.:
C12H19FN4O6S
Mol. Mass.:
366.366
SMILES:
OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCNC[C@@H]2F)C1=O |r|