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Target
Sortase family protein
Ligand
BDBM50542886
Substrate
n/a
Meas. Tech.
ChEMBL_1988077 (CHEMBL4621624)
IC50
900±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:
BDBM50542886
Synonyms:
CHEMBL4634267
Type:
Small organic molecule
Emp. Form.:
C14H11Cl2N3O3S
Mol. Mass.:
372.226
SMILES:
Cc1noc(C)c1-n1sc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O |(15.34,-5.73,;15.82,-7.19,;17.31,-7.67,;17.31,-9.24,;15.82,-9.73,;15.34,-11.19,;14.91,-8.46,;13.34,-8.46,;12.42,-7.19,;10.93,-7.67,;9.65,-6.75,;10.93,-9.24,;9.65,-10.16,;8.25,-9.53,;8.1,-8.01,;6.69,-7.38,;5.44,-8.28,;4.04,-7.66,;5.61,-9.82,;4.36,-10.73,;7.01,-10.44,;12.42,-9.73,;12.9,-11.22,)|
Structure:
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