Reaction Details Report a problem with these data
Target
Sortase A
Ligand
BDBM33371
Substrate
BDBM33299
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
IC50
1400±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:
BDBM33371
Synonyms:
pyrazolethione, 3-9
Type:
Small organic molecule
Emp. Form.:
C23H19N5S
Mol. Mass.:
397.495
SMILES:
Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)N=Nc1ccccc1 |w:13.14,21.23|
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: