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Target
Penicillin-binding protein 2
Ligand
BDBM50076680
Substrate
n/a
Meas. Tech.
ChEMBL_153530 (CHEMBL763470)
IC50
34000±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:
Penicillin-binding protein 2
Synonyms:
Penicillin-binding protein | Penicillin-binding protein 2
Type:
PROTEIN
Mol. Mass.:
79295.25
Organism:
Staphylococcus aureus
Description:
ChEMBL_153530
Residue:
716
Sequence:
MTENKGSSQPKKNGNNGGKSNSKKNRNVKRTIIKIIGFMIIAFFVVLLLGILLFAYYAWKAPAFTEAKLQDPIPAKIYDKNGELVKTLDNGQRHEHVNLKDVPKSMKDAVLATEDNRFYEHGALDYKRLFGAIGKNLTGGFGSEGASTLTQQVVKDAFLSQHKSIGRKAQEAYLSYRLEQEYSKDDIFQVYLNKIYYSDGVTGIKAAAKYYFNKDLKDLNLAEEAYLAGLPQVPNNYNIYDHPKAAEDRKNTVLYLMHYHKRITDKQWEDAKKIDLKANLVNRTAEERQNIDTNQDSEYNSYVNFVKSELMNNKAFKDENLGNVLQSGIKIYTNMDKDVQKTLQNDVDNGSFYKNKDQQVGATILDSKTGGLVAISGGRDFKDVVNRNQATDPHPTGSSLKPFLAYGPAIENMKWATNHAIQDESSYQVDGSTFRNYDTKSHGTVSIYDALRQSFNIPALKAWQSVKQNAGNDAPKKFAAKLGLNYEGDIGPSEVLGGSASEFSPTQLASAFAAIANGGTYNNAHSIQKVVTRDGETIEYDHTSHKAMSDYTAYMLAEMLKGTFKPYGSAYGHGVSGVNMGAKTGTGTYGAETYSQYNLPDNAAKDVWINGFTPQYTMSVWMGFSKVKQYGENSFVGHSQQEYPQFLYENVMSKISSRDGEDFKRPSSVSGSIPSINVSGSQDNNTTNRSTHGGSDTSANSSGTAQSNNNTRSQQS
  
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:
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