Reaction Details Report a problem with these data
Target
D-alanyl-D-alanine carboxypeptidase
Ligand
BDBM50385263
Substrate
n/a
Meas. Tech.
ChEMBL_822527 (CHEMBL2039460)
IC50
85000±n/a nM
Citation
 Zervosen, A; Bouillez, A; Herman, A; Amoroso, A; Joris, B; Sauvage, E; Charlier, P; Luxen, A Synthesis and evaluation of boronic acids as inhibitors of Penicillin Binding Proteins of classes A, B and C. Bioorg Med Chem 20:3915-24 (2012) [PubMed]  Article 
Target
Name:
D-alanyl-D-alanine carboxypeptidase
Synonyms:
DAC_ACTSP | dac
Type:
PROTEIN
Mol. Mass.:
54928.46
Organism:
Actinomadura sp. (strain R39)
Description:
ChEMBL_822544
Residue:
538
Sequence:
MKQSSPEPLRPRRTGGRGGARRAAALVTIPLLPMTLLGASPALADASGARLTELREDIDAILEDPALEGAVSGVVVVDTATGEELYSRDGGEQLLPASNMKLFTAAAALEVLGADHSFGTEVAAESAPGRRGEVQDLYLVGRGDPTLSAEDLDAMAAEVAASGVRTVRGDLYADDTWFDSERLVDDWWPEDEPYAYSAQISALTVAHGERFDTGVTEVSVTPAAEGEPADVDLGAAEGYAELDNRAVTGAAGSANTLVIDRPVGTNTIAVTGSLPADAAPVTALRTVDEPAALAGHLFEEALESNGVTVKGDVGLGGVPADWQDAEVLADHTSAELSEILVPFMKFSNNGHAEMLVKSIGQETAGAGTWDAGLVGVEEALSGLGVDTAGLVLNDGSGLSRGNLVTADTVVDLLGQAGSAPWAQTWSASLPVAGESDPFVGGTLANRMRGTAAEGVVEAKTGTMSGVSALSGYVPGPEGELAFSIVNNGHSGPAPLAVQDAIAVRLAEYAGHQAPEGARMMRGPVQGSGELECSWVQAC
  
Inhibitor
Name:
BDBM50385263
Synonyms:
CHEMBL2035289
Type:
Small organic molecule
Emp. Form.:
C8H9BClNO3
Mol. Mass.:
213.426
SMILES:
OB(O)CNC(=O)c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: