Reaction Details  Report a problem with these data
Target
Thiol:disulfide interchange protein DsbA
Ligand
BDBM50576680
Substrate
n/a
Meas. Tech.
ChEMBL_2127683 (CHEMBL4837028)
Kd
1137000±n/a nM
Citation
 Duncan, LF; Wang, G; Ilyichova, OV; Dhouib, R; Totsika, M; Scanlon, MJ; Heras, B; Abbott, BM Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds. Bioorg Med Chem 45:0 (2021) [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:
BDBM50576680
Synonyms:
CHEMBL4860222
Type:
Small organic molecule
Emp. Form.:
C16H12O3
Mol. Mass.:
252.2647
SMILES:
OC(=O)Cc1coc2cc(ccc12)-c1ccccc1
Structure:
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