Target
Sortase family protein
Ligand
BDBM50030324
Substrate
n/a
Meas. Tech.
ChEMBL_1431503 (CHEMBL3389868)
IC50
7060±n/a nM
Citation
 Zhulenkovs, DRudevica, ZJaudzems, KTurks, MLeonchiks, 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:
BDBM50030324
Synonyms:
CHEMBL3343834
Type:
Small organic molecule
Emp. Form.:
C22H28N2O3S
Mol. Mass.:
400.534
SMILES:
CC12CC3(C)CC(O)(C1)CC(C2)(C3)NC(=O)CCn1sc2ccccc2c1=O |TLB:8:6:12:2.1.11,8:1:5.6.9:12,0:1:5:9.10.12,7:6:12:2.1.11,THB:13:10:5:2.8.1,11:1:5:9.10.12,11:10:5:2.8.1|
Structure:
Search PDB for entries with ligand similarity: