Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50067056
Substrate
n/a
Meas. Tech.
ChEMBL_41027 (CHEMBL655044)
KON
0.4 M-1s-1
Citation
 Heinze-Krauss, I; Angehrn, P; Charnas, RL; Gubernator, K; Gutknecht, EM; Hubschwerlen, C; Kania, M; Oefner, C; Page, MG; Sogabe, S; Specklin, JL; Winkler, F Structure-based design of beta-lactamase inhibitors. 1. Synthesis and evaluation of bridged monobactams. J Med Chem 41:3961-71 (1998) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_PSEAE | ampC | beta-Lactamase
Type:
Enzyme
Mol. Mass.:
43406.87
Organism:
Pseudomonas aeruginosa (PAO1)
Description:
P24735
Residue:
397
Sequence:
MRDTRFPCLCGIAASTLLFATTPAIAGEAPADRLKALVDAAVQPVMKANDIPGLAVAISLKGEPHYFSYGLASKEDGRRVTPETLFEIGSVSKTFTATLAGYALTQDKMRLDDRASQHWPALQGSRFDGISLLDLATYTAGGLPLQFPDSVQKDQAQIRDYYRQWQPTYAPGSQRLYSNPSIGLFGYLAARSLGQPFERLMEQQVFPALGLEQTHLDVPEAALAQYAQGYGKDDRPLRVGPGPLDAEGYGVKTSAADLLRFVDANLHPERLDRPWAQALDATHRGYYKVGDMTQGLGWEAYDWPISLKRLQAGNSTPMALQPHRIARLPAPQALEGQRLLNKTGSTNGFGAYVAFVPGRDLGLVILANRNYPNAERVKIAYAILSGLEQQGKVPLKR
  
Inhibitor
Name:
BDBM50067056
Synonyms:
CHEMBL338351 | Sodium; (1S,5R)-2-(4-hydroxy-phenylcarbamoyl)-7-oxo-2,6-diaza-bicyclo[3.2.0]heptane-6-sulfonate
Type:
Small organic molecule
Emp. Form.:
C12H12N3O6S
Mol. Mass.:
326.306
SMILES:
Oc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: