Reaction Details Report a problem with these data
Target
Penicillin-binding protein 2
Ligand
BDBM50218771
Substrate
n/a
Meas. Tech.
ChEMBL_153656 (CHEMBL762721)
IC50
>552000±n/a nM
Citation
 Chen, Z; Demuth, TP; Wireko, FC Stereoselective synthesis and antibacterial evaluation of 4-amido-isothiazolidinone oxides. Bioorg Med Chem Lett 11:2111-5 (2001) [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:
BDBM50218771
Synonyms:
CHEMBL63749
Type:
Small organic molecule
Emp. Form.:
C19H17ClN2O7S
Mol. Mass.:
452.865
SMILES:
Clc1ccc(OC(=O)NC2CS(=O)(=O)N(CC(=O)OCc3ccccc3)C2=O)cc1
Structure:
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