Reaction Details Report a problem with these data
Target
Signal peptidase I
Ligand
BDBM50469156
Substrate
n/a
Meas. Tech.
ChEMBL_1803498 (CHEMBL4275790)
IC50
227±n/a nM
Citation
 Sza?aj, N; Lu, L; Benediktsdottir, A; Zamaratski, E; Cao, S; Olanders, G; Hedgecock, C; Karlén, A; Erdélyi, M; Hughes, D; Mowbray, SL; Brandt, P Boronic ester-linked macrocyclic lipopeptides as serine protease inhibitors targeting Escherichia coli type I signal peptidase. Eur J Med Chem 157:1346-1360 (2018) [PubMed]  Article 
Target
Name:
Signal peptidase I
Synonyms:
LEP_ECOLI | Leader peptidase I | SPase I | lepB
Type:
PROTEIN
Mol. Mass.:
35961.43
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_154169
Residue:
324
Sequence:
MANMFALILVIATLVTGILWCVDKFFFAPKRRERQAAAQAAAGDSLDKATLKKVAPKPGWLETGASVFPVLAIVLIVRSFIYEPFQIPSGSMMPTLLIGDFILVEKFAYGIKDPIYQKTLIETGHPKRGDIVVFKYPEDPKLDYIKRAVGLPGDKVTYDPVSKELTIQPGCSSGQACENALPVTYSNVEPSDFVQTFSRRNGGEATSGFFEVPKNETKENGIRLSERKETLGDVTHRILTVPIAQDQVGMYYQQPGQQLATWIVPPGQYFMMGDNRDNSADSRYWGFVPEANLVGRATAIWMSFDKQEGEWPTGLRLSRIGGIH
  
Inhibitor
Name:
BDBM50469156
Synonyms:
CHEMBL4291944
Type:
Small organic molecule
Emp. Form.:
C41H52BN9O9
Mol. Mass.:
825.717
SMILES:
[H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)C#Cc1ccc(cc1)-c1ccccc1)[C@@H](C)O |r|
Structure:
Search PDB for entries with ligand similarity: