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Target
Beta-lactamase
Ligand
BDBM98851
Substrate
BDBM98856
Meas. Tech.
Spectrophotometric Assay
IC50
12±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 
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:
BDBM98851
Synonyms:
US8487093, 270
Type:
Small organic molecule
Emp. Form.:
C32H34N4O16S
Mol. Mass.:
762.695
SMILES:
CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCC(CNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O |r|
Structure:
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Substrate
Name:
BDBM98856
Synonyms:
US8487093, Substrate
Type:
Small organic molecule
Emp. Form.:
C21H16N4O8S2
Mol. Mass.:
516.504
SMILES:
OC(=O)C1=C(CSC2C(NC(=O)Cc3cccs3)C(=O)N12)\C=C\c1ccc(cc1N(=O)=O)N(=O)=O |t:3|
Structure:
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