Reaction Details Report a problem with these data
Target
Sortase family protein
Ligand
BDBM50542888
Substrate
n/a
Meas. Tech.
ChEMBL_1988077 (CHEMBL4621624)
IC50
1100±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:
BDBM50542888
Synonyms:
CHEMBL4634109
Type:
Small organic molecule
Emp. Form.:
C15H15N3O3S
Mol. Mass.:
317.363
SMILES:
Cc1noc(C)c1-n1sc(=O)n(Cc2ccc(C)cc2)c1=O |(13.88,-7.24,;14.36,-8.71,;15.85,-9.19,;15.85,-10.76,;14.36,-11.24,;13.88,-12.71,;13.44,-9.98,;11.88,-9.98,;10.95,-8.7,;9.46,-9.19,;8.19,-8.27,;9.46,-10.76,;8.19,-11.68,;6.78,-11.05,;6.64,-9.52,;5.23,-8.9,;3.98,-9.8,;2.58,-9.17,;4.15,-11.34,;5.55,-11.96,;10.95,-11.25,;11.43,-12.74,)|
Structure:
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