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Target
Sortase family protein
Ligand
BDBM50542891
Substrate
n/a
Meas. Tech.
ChEMBL_1988077 (CHEMBL4621624)
IC50
1500±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:
BDBM50542891
Synonyms:
CHEMBL4637940
Type:
Small organic molecule
Emp. Form.:
C9H11N3O3S
Mol. Mass.:
241.267
SMILES:
CCn1c(=O)sn(-c2c(C)noc2C)c1=O |(6.17,-8.87,;7.56,-9.48,;8.81,-8.58,;8.81,-7.03,;7.56,-6.13,;10.28,-6.55,;11.18,-7.81,;12.73,-7.81,;13.63,-6.56,;13.16,-5.12,;15.1,-7.03,;15.1,-8.58,;13.63,-9.05,;13.16,-10.49,;10.28,-9.06,;10.75,-10.53,)|
Structure:
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