Reaction Details Report a problem with these data
Target
Sortase A
Ligand
BDBM33374
Substrate
BDBM33299
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
IC50
1700±n/a nM
Citation
 Suree, N; Yi, SW; Thieu, W; Marohn, M; Damoiseaux, R; Chan, A; Jung, ME; Clubb, RT Discovery and structure-activity relationship analysis of Staphylococcus aureus sortase A inhibitors. Bioorg Med Chem 17:7174-85 (2009) [PubMed]  Article 
Target
Name:
Sortase A
Synonyms:
LPXTG-site transpeptidase family protein | SRTA_BACAN | Sortase A (SrtA) | srtA
Type:
Enzyme
Mol. Mass.:
23150.63
Organism:
Bacillus anthracis
Description:
A0A0E0VVI0
Residue:
210
Sequence:
MNKQRIYSIVAILLFVVGGVLIGKPFYDGYQAEKKQTENVQAVQKMDYEKHETEFVDASKIDQPDLAEVANASLDKKQVIGRISIPSVSLELPVLKSSTEKNLLSGAATVKENQVMGKGNYALAGHNMSKKGVLFSDIASLKKGDKIYLYDNENEYEYAVTGVSEVTPDKWEVVEDHGKDEITLITCVSVKDNSKRYVVAGDLVGTKAKK
  
Inhibitor
Name:
BDBM33374
Synonyms:
pyrazolethione, 3-12
Type:
Small organic molecule
Emp. Form.:
C17H12Br3N3S
Mol. Mass.:
530.074
SMILES:
Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br |w:13.14|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM33299
Synonyms:
Abz-LPETG-Dap(Dnp) | o-aminobenzoyl (Abz)-LPETG-diaminopropionic acid-dinitrophenyl- NH2
Type:
internally quenched fluorescent substrate
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: