Reaction Details Report a problem with these data
Target
Penicillin-binding protein 3
Ligand
BDBM50495677
Substrate
n/a
Meas. Tech.
ChEMBL_1289590 (CHEMBL3117909)
KON
5.3 M-1s-1
Citation
 Dave, K; Palzkill, T; Pratt, RF Neutral ?-Lactams Inactivate High Molecular Mass Penicillin-Binding Proteins of Class B1, Including PBP2a of MRSA. ACS Med Chem Lett 5:154-7 (2014) [PubMed]  Article 
Target
Name:
Penicillin-binding protein 3
Synonyms:
PBP 3 | PBPC_BACSU | PSPB20 | Penicillin-binding protein 3 | Penicillin-binding protein C | pbpC | ycsM | yzsA | yzsA
Type:
PROTEIN
Mol. Mass.:
74405.44
Organism:
Bacillus subtilis (strain 168)
Description:
ChEMBL_108031
Residue:
668
Sequence:
MLKKCILLVFLCVGLIGLIGCSKTDSPEDRMEAFVKQWNDQQFDDMYQSLTKDVKKEISKKDFVNRYKAIYEQAGVKNLKVTAGEVDKDDQDNKTMKHIPYKVSMNTNAGKVSFKNTAVLKLEKTDDEESWNIDWDPSFIFKQLADDKTVQIMSIEPKRGQIYDKNGKGLAVNTDVPEIGIVPGELGDKKEKVIKELAKKLDLTEDDIKKKLDQGWVKDDSFVPLKKVKPDQEKLVSEATSLQGVTRTNVSSRYYPYGEKTAHLTGYVRAITAEELKKKKEGTYSDTSNIGIAGLENVYEDKLRGTTGWKIYVPQTGEVIAEKKAKDGEDLHLTIDIKTQMKLYDELKDDSGAAVALQPKTGETLALVSAPSYDPNGFIFGWSDKEWKKLNKDKNNPFSAKFNKTYAPGSTIKPIAAAIGIKNGTLKADEKKTIKGKEWQKDSSWGGYSVTRVSERLQQVDLENALITSDNIYFAQNALDMGADTFTKGLKTFGFSEDVPYEFPIQKSSIANDKLDSDILLADTGYGQGQMQMSPLHLATAYTPFVDNGDLVKPTLIKKDSQTADVWHKQVVTKEGAADITKGLKGVVEDERGSAYQPVVKGITVAGKTGTAELKTSKDDKDGTENGWFVGYDYENKDLLVAMMIQNVQDRGGSHYVVEKAKKQFQSN
  
Inhibitor
Name:
BDBM50495677
Synonyms:
CHEMBL3114799
Type:
Small organic molecule
Emp. Form.:
C16H19N3O4S
Mol. Mass.:
349.405
SMILES:
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C(N)=O |r|
Structure:
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