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Target
Thiol:disulfide interchange protein DsbA
Ligand
BDBM50062390
Substrate
n/a
Meas. Tech.
ChEMBL_1462817 (CHEMBL3399656)
Kd
11300±n/a nM
Citation
 Duprez, W; Premkumar, L; Halili, MA; Lindahl, F; Reid, RC; Fairlie, DP; Martin, JL Peptide inhibitors of the Escherichia coli DsbA oxidative machinery essential for bacterial virulence. J Med Chem 58:577-87 (2015) [PubMed]  Article 
Target
Name:
Thiol:disulfide interchange protein DsbA
Synonyms:
DSBA_ECOLI | JW3832 | Thiol:disulfide interchange protein DsbA | dsbA | dsf | dsf | ppfA
Type:
PROTEIN
Mol. Mass.:
23103.76
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_109722
Residue:
208
Sequence:
MKKIWLALAGLVLAFSASAAQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK
  
Inhibitor
Name:
BDBM50062390
Synonyms:
CHEMBL3397428
Type:
Small organic molecule
Emp. Form.:
C48H63N11O13S
Mol. Mass.:
1034.145
SMILES:
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Structure:
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