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Target
Penicillin-binding protein 3
Ligand
BDBM50378857
Substrate
n/a
Meas. Tech.
ChEMBL_553826 (CHEMBL966189)
IC50
93.5±n/a nM
Citation
 Davies, TA; Page, MG; Shang, W; Andrew, T; Kania, M; Bush, K Binding of ceftobiprole and comparators to the penicillin-binding proteins of Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Streptococcus pneumoniae. Antimicrob Agents Chemother 51:2621-4 (2007) [PubMed]  Article 
Target
Name:
Penicillin-binding protein 3
Synonyms:
Penicillin-binding protein 3
Type:
PROTEIN
Mol. Mass.:
77276.93
Organism:
Staphylococcus aureus
Description:
ChEMBL_100046
Residue:
691
Sequence:
MLKRLKEKSNDEIVQNTINKRINFIFGVIVFIFAVLVLRLGYLQIAQGSHYKQIIKNDENITVNESVPRGRILDRNGKVLVDNASKMAITYTRGRKTTQSEMLDTAEKLSKLIKMDTKKITERDKKDFWIQLHPKKAKAMMTKEQAMLADGSIKQDQYDKQLLSKIGKSQLDELSSKDLQVLAIFREMNAGTVLDPQMIKNEDVSEKEYAAVSQQLSKLPGVNTSMDWDRKYPYGDTLRGIFGDVSTPAEGIPKELTEHYLSKGYSRNDRVGKSYLEYQYEDVLRGKKKEMKYTTDKSGKVTSSEVLNPGARGQDLKLTIDIDLQKEVEALLDKQIKKLRSQGAKDMDNAMMVVQNPKNGDILALAGKQINKSGKMTDYDIGTFTSQFAVGSSVKGGTLLAGYQNKAIKVGETMVDEPLHFQGGLTKRSYFNKNGHVTINDKQALMRSSNVYMFKTALKLAGDPYYSGMALPSDISSPAQKLRRGLNQVGLGVKTGIDLPNETRGQIEPLTNNPGNYLDLSIGQYDTYTPLQLSQYVSTIANDGYRIQPHIGLTIHESTNKDEVGPLKKKINGTVLNKVNNTEKEIKQIQEGFKMAFNDKDGTGYVSFKDTVVPTAGKTGTAEVFQNGEPRVNSTYIGYAPIDDPKLAFSIVYTNQPVPPPWLTGGDLGRDVINYYFKQLGKDDKNKDKDK
  
Inhibitor
Name:
BDBM50378857
Synonyms:
CEFTOBIPROLE | Zeftera | Zevtera
Type:
Small organic molecule
Emp. Form.:
C20H22N8O6S2
Mol. Mass.:
534.569
SMILES:
Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31|
Structure:
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