Reaction Details Report a problem with these data
Target
Sortase family protein
Ligand
BDBM50196058
Substrate
n/a
Meas. Tech.
ChEMBL_1618140 (CHEMBL3860309)
Ki
4900±n/a nM
Citation
 Rentero Rebollo, I; McCallin, S; Bertoldo, D; Entenza, JM; Moreillon, P; Heinis, C Development of Potent and Selective S. aureus Sortase A Inhibitors Based on Peptide Macrocycles. ACS Med Chem Lett 7:606-11 (2016) [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:
BDBM50196058
Synonyms:
CHEMBL3900056
Type:
Small organic molecule
Emp. Form.:
C45H67N11O10S2
Mol. Mass.:
986.211
SMILES:
[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCc1cccc(CSC[C@]([H])(NC2=O)C(=O)NCC(N)=O)c1)NC(=O)[C@H](C)N |r|
Structure:
Search PDB for entries with ligand similarity: