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Target
Sortase family protein
Ligand
BDBM50542892
Substrate
n/a
Meas. Tech.
ChEMBL_1988077 (CHEMBL4621624)
IC50
800±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:
BDBM50542892
Synonyms:
CHEMBL4638466
Type:
Small organic molecule
Emp. Form.:
C14H13N3O3S
Mol. Mass.:
303.336
SMILES:
Cc1noc(C)c1-n1sc(=O)n(Cc2ccccc2)c1=O |(14.43,-5.39,;14.9,-6.82,;16.36,-7.3,;16.36,-8.83,;14.9,-9.31,;14.43,-10.74,;14,-8.07,;12.46,-8.07,;11.56,-6.82,;10.1,-7.3,;8.85,-6.39,;10.1,-8.83,;8.85,-9.74,;7.43,-9.11,;7.28,-7.56,;5.86,-6.93,;4.61,-7.84,;4.77,-9.39,;6.19,-10.02,;11.56,-9.31,;12.03,-10.77,)|
Structure:
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