Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50067062
Substrate
n/a
Meas. Tech.
ChEMBL_41025 (CHEMBL655042)
KOFF
0.0007 s-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:
BDBM50067062
Synonyms:
CHEMBL415234 | Sodium; (1S,6R)-2-tert-butoxycarbonyl-8-oxo-2,7-diaza-bicyclo[4.2.0]octane-7-sulfonate
Type:
Small organic molecule
Emp. Form.:
C11H17N2O6S
Mol. Mass.:
305.328
SMILES:
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
Structure:
Search PDB for entries with ligand similarity: