Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50076680
Substrate
n/a
Meas. Tech.
ChEMBL_41030 (CHEMBL651934)
IC50
380±n/a nM
Citation
 Richter, HG; Angehrn, P; Hubschwerlen, C; Kania, M; Page, MG; Specklin, JL; Winkler, FK Design, synthesis, and evaluation of 2 beta-alkenyl penam sulfone acids as inhibitors of beta-lactamases. J Med Chem 39:3712-22 (1996) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ENTCL | ampC
Type:
PROTEIN
Mol. Mass.:
41306.67
Organism:
Enterobacter cloacae
Description:
ChEMBL_40258
Residue:
381
Sequence:
MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHYYTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQWQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGALAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQAYGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEANTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLANTSYPNPARVEAAYHILEALQ
  
Inhibitor
Name:
BDBM50076680
Synonyms:
CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate | Sodium; (2S,3S,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C10H9N2O5S
Mol. Mass.:
269.254
SMILES:
C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Structure:
Search PDB for entries with ligand similarity: