Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-lactamase
LigandBDBM50076680
Substrate/Competitorn/a
Meas. Tech.ChEMBL_40411
IC50 3400±n/a nM
Citation Richter, HGAngehrn, PHubschwerlen, CKania, MPage, MGSpecklin, JLWinkler, FK Design, synthesis, and evaluation of 2 beta-alkenyl penam sulfone acids as inhibitors of beta-lactamases. J Med Chem39:3712-22 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-lactamase
Name:Beta-lactamase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:41306.67
Organism:Enterobacter cloacae
Description:ChEMBL_40258
Residue:381
Sequence:
MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHY
YTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQ
WQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGA
LAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQA
YGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEA
NTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLA
NTSYPNPARVEAAYHILEALQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50076680
NameBDBM50076680
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
TypeSmall organic molecule
Emp. Form.C10H9N2O5S
Mol. Mass.269.254
SMILESC[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:Similarity to this molecule at least:
n/a