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Target
Penicillin-binding protein 2
Ligand
BDBM50500470
Substrate
n/a
Meas. Tech.
ChEMBL_1543550 (CHEMBL3750551)
IC50
20700±n/a nM
Citation
 Sosi?, I; Anderluh, M; Sova, M; Gobec, M; Mlinari? Ra??an, I; Derouaux, A; Amoroso, A; Terrak, M; Breukink, E; Gobec, S Structure-Activity Relationships of Novel Tryptamine-Based Inhibitors of Bacterial Transglycosylase. J Med Chem 58:9712-21 (2015) [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:
BDBM50500470
Synonyms:
CHEMBL3746902
Type:
Small organic molecule
Emp. Form.:
C19H20Cl2N2S
Mol. Mass.:
379.347
SMILES:
CSc1ccc2n(Cc3ccc(Cl)c(Cl)c3)c(C)c(CCN)c2c1
Structure:
Search PDB for entries with ligand similarity: