Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM98847
Substrate
BDBM98856
Meas. Tech.
Spectrophotometric Assay
IC50
24±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 (AmpC)
Type:
Enzyme
Mol. Mass.:
43489.98
Organism:
Pseudomonas aeruginosa
Description:
Q3LG62
Residue:
397
Sequence:
MRDTRFPCLCGIAASTLLFATTPAIADEAPADRLKALVDAAVQPVMKANDIPGLAVAISLKGEPHYFSYGLASKEDGRRVTPETLFEIGSVSKTFTVTLAGYALAQDKMRLDDRASQHWPALQGSRFDGISLLDLATYTAGGLPLQFPDSVQKDQAQIRDYYRQWQPTYAPGSQRLYSNPSIGLFGYLAARSLGQPFERLMEQQLFPALGLEQTHLDVPEAALAQYAQGYGKDDRPLRVGPGPLDAEGYGVKTSAADLLRFVDANLHPERLDRPWAQALDATHRGYYKVGDMTQGLGWEAYDWPISLKRLQAGNSTPMALQPHRIARLPAPQALEGQRLLNKTGSTNGFGAYVAFVPGRDLGLVILANRNYPNAERVKIAYAILSGLEQQAKVPLKR
  
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|
Structure:
Search PDB for entries with ligand similarity:
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:
Search PDB for entries with ligand similarity: