Reaction Details  Report a problem with these data
Target
Thiol:disulfide interchange protein DsbA
Ligand
BDBM50539924
Substrate
n/a
Meas. Tech.
ChEMBL_1979824 (CHEMBL4612959)
Kd
490000±n/a nM
Citation
 Bentley, MR; Ilyichova, OV; Wang, G; Williams, ML; Sharma, G; Alwan, WS; Whitehouse, RL; Mohanty, B; Scammells, PJ; Heras, B; Martin, JL; Totsika, M; Capuano, B; Doak, BC; Scanlon, MJ Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL J Med Chem 63:6863-6875 (2020) [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:
BDBM50539924
Synonyms:
CHEMBL4634926
Type:
Small organic molecule
Emp. Form.:
C16H13NO3
Mol. Mass.:
267.2793
SMILES:
Cc1cc(Oc2ccc(CC(O)=O)cc2)ccc1C#N
Structure:
Search PDB for entries with ligand similarity: