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Target
Signal peptidase I
Ligand
BDBM50469159
Substrate
n/a
Meas. Tech.
ChEMBL_1803498 (CHEMBL4275790)
IC50
17±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:
BDBM50469159
Synonyms:
CHEMBL4283840
Type:
Small organic molecule
Emp. Form.:
C47H70BN7O9
Mol. Mass.:
887.911
SMILES:
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r|
Structure:
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