Target
Exoenzyme S
Ligand
BDBM50285363
Substrate
n/a
Meas. Tech.
ChEMBL_1728031 (CHEMBL4143309)
IC50
19000±n/a nM
Citation
 Saleeb, MSundin, CAglar, ÖPinto, AFEbrahimi, MForsberg, ÅSchüler, HElofsson, M Structure-activity relationships for inhibitors of Pseudomonas aeruginosa exoenzyme S ADP-ribosyltransferase activity. Eur J Med Chem 143:568-576 (2018) [PubMed]  Article 
Target
Name:
Exoenzyme S
Synonyms:
Exoenzyme S | exoS
Type:
PROTEIN
Mol. Mass.:
48237.22
Organism:
Pseudomonas aeruginosa
Description:
ChEMBL_117868
Residue:
453
Sequence:
MHIQSLQQSPSFAVELHQAASGRLGQIEARQVATPSEAQQLAQRQEAPKGEGLLARLGAALVRPFVAIMDWLGKLLGSHARTGPQPSQDAQPAVMSSAVVFKQMVLQQALPMTLKGLDKASELATLTPEGLAREHSRLASGDGALRSLSTALAGIRAGSQVEESRIQAGRLLERSIGGIALQQWGTTGGAASQLVLDASPELRREITDQLHQVMSEVALLRQAVESEVSRVSADKALADGLVKRFGADAEKYLGRQPGGIHSDAEVMALGLYTGIHYADLNRALRQGQELDAGQKLIDQGMSAAFEKSGQAEQVVKTFRGTRGGDAFNAVEEGKVGHDDGYLSTSLNPGVARSFGQGTISTVFGRSGIDVSGISNYKNEKEILYNKETDMRVLLSASDEQGVTRRVLEEAALGELSGHSQGLLDALDLASKPEPSGEVQEQDVRLRMRGLDLA
  
Inhibitor
Name:
BDBM50285363
Synonyms:
CHEMBL4175931
Type:
Small organic molecule
Emp. Form.:
C12H12N2O3S
Mol. Mass.:
264.3
SMILES:
OC(=O)CCc1nc2sc3CCCc3c2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: