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Target
Sortase family protein
Ligand
BDBM50030322
Substrate
n/a
Meas. Tech.
ChEMBL_1431503 (CHEMBL3389868)
IC50
3810±n/a nM
Citation
 Zhulenkovs, D; Rudevica, Z; Jaudzems, K; Turks, M; Leonchiks, A Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase. Bioorg Med Chem 22:5988-6003 (2014) [PubMed]  Article 
Target
Name:
Sortase family protein
Synonyms:
Sortase | Sortase A (SrtA)
Type:
Enzyme
Mol. Mass.:
23546.15
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
206
Sequence:
MKKWTNRLMTIAGVVLILVAAYLFAKPHIDNYLHDKDKDEKIEQYDKNVKEQASKDKKQQAKPQIPKDKSKVAGYIEIPDADIKEPVYPGPATPEQLNRGVSFAEENESLDDQNISIAGHTFIDRPNYQFTNLKAAKKGSMVYFKVGNETRKYKMTSIRDVKPTDVGVLDEQKGKDKQLTLITCDDYNEKTGVWEKRKIFVATEVK
  
Inhibitor
Name:
BDBM50030322
Synonyms:
CHEMBL3343832
Type:
Small organic molecule
Emp. Form.:
C20H24N2O2S
Mol. Mass.:
356.482
SMILES:
O=C(CCn1sc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,14:15:18:22.20.21,23:21:18:24.15.16,23:15:18:22.20.21|
Structure:
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