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Target
Sortase family protein
Ligand
BDBM50542884
Substrate
n/a
Meas. Tech.
ChEMBL_1988077 (CHEMBL4621624)
IC50
1000±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:
BDBM50542884
Synonyms:
CHEMBL4645619
Type:
Small organic molecule
Emp. Form.:
C14H12ClN3O3S
Mol. Mass.:
337.781
SMILES:
Cc1noc(C)c1-n1sc(=O)n(Cc2ccc(Cl)cc2)c1=O |(15.29,-7.48,;15.77,-8.95,;17.26,-9.43,;17.26,-11,;15.77,-11.48,;15.29,-12.95,;14.85,-10.22,;13.28,-10.22,;12.36,-8.94,;10.87,-9.43,;9.6,-8.51,;10.87,-11,;9.6,-11.92,;8.19,-11.29,;8.04,-9.76,;6.64,-9.14,;5.39,-10.04,;3.98,-9.41,;5.55,-11.58,;6.96,-12.2,;12.36,-11.49,;12.84,-12.98,)|
Structure:
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