Reaction Details Report a problem with these data
Target
Sortase family protein
Ligand
BDBM50030321
Substrate
n/a
Meas. Tech.
ChEMBL_1431503 (CHEMBL3389868)
IC50
3870±n/a nM
Citation
 Zhulenkovs, D; Rudevica, Z; Jaudzems, K; Turks, M; Leonchiks, A Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase. Bioorg Med Chem 22:5988-6003 (2014) [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:
BDBM50030321
Synonyms:
CHEMBL3343831
Type:
Small organic molecule
Emp. Form.:
C21H26N2O3S
Mol. Mass.:
386.508
SMILES:
CC12CC3(C)CC(O)(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:6:12:2.1.11,8:1:5.6.9:12,13:10:5:2.8.1,7:6:12:2.1.11,THB:0:1:5:9.10.12,0:1:5.6.9:12,11:1:5:9.10.12,11:10:5:2.8.1|
Structure:
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