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Target
Sortase family protein
Ligand
BDBM50542885
Substrate
n/a
Meas. Tech.
ChEMBL_1988077 (CHEMBL4621624)
IC50
600±n/a nM
Citation
 Yang, T; Zhang, T; Guan, XN; Dong, Z; Lan, L; Yang, S; Yang, CG Tideglusib and Its Analogues As Inhibitors of  J Med Chem 63:8442-8457 (2020) [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:
BDBM50542885
Synonyms:
CHEMBL4641661
Type:
Small organic molecule
Emp. Form.:
C14H12ClN3O3S
Mol. Mass.:
337.781
SMILES:
Cc1noc(C)c1-n1sc(=O)n(Cc2ccccc2Cl)c1=O |(15.23,-7,;15.7,-8.46,;17.2,-8.95,;17.2,-10.52,;15.7,-11,;15.23,-12.46,;14.79,-9.73,;13.22,-9.73,;12.3,-8.46,;10.81,-8.95,;9.54,-8.03,;10.81,-10.52,;9.54,-11.44,;8.13,-10.81,;7.98,-9.28,;6.58,-8.65,;5.33,-9.56,;5.49,-11.1,;6.9,-11.72,;7.06,-13.25,;12.3,-11.01,;12.78,-12.5,)|
Structure:
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