Reaction Details Report a problem with these data
Target
D-alanine--D-alanine ligase
Ligand
BDBM50520696
Substrate
n/a
Meas. Tech.
ChEMBL_1881793 (CHEMBL4383292)
IC50
710±n/a nM
Citation
 Ameryckx, A; Thabault, L; Pochet, L; Leimanis, S; Poupaert, JH; Wouters, J; Joris, B; Van Bambeke, F; Frédérick, R 1-(2-Hydroxybenzoyl)-thiosemicarbazides are promising antimicrobial agents targeting d-alanine-d-alanine ligase in bacterio. Eur J Med Chem 159:324-338 (2018) [PubMed]  Article 
Target
Name:
D-alanine--D-alanine ligase
Synonyms:
6.3.2.4 | D-Ala-D-Ala ligase | D-alanine--D-alanine ligase | D-alanylalanine synthetase | DDL_ENTFA | ddl
Type:
PROTEIN
Mol. Mass.:
39321.79
Organism:
Enterococcus faecalis (strain ATCC 700802 / V583)
Description:
ChEMBL_119668
Residue:
348
Sequence:
MKIILLYGGRSEEHDVSVLSAYSVLNAIYYKYYQVQLVFISKDGQWVKGPLLSERPQNKEVLHLTWAQTPEETGEFSGKRISPSEIYEEEAIVFPVLHGPNGEDGTIQGFMETINMPYVGAGVLASANAMDKIMTKYLLQTVGIPQVPFVPVLRSDWKGNPKEVFEKCEGSLIYPVFVKPANMGSSVGISKVENREELQEALEEAFRYDARAIVEQGIEAREIEVAILGNEDVRTTLPGEVVKDVAFYDYDAKYINNTIEMQIPAHVPEEVAHQAQEYAKKAYIMLDGSGLSRCDFFLTSKNELFLNELNTMPGFTDFSMYPLLWENMGLKYSDLIEELIQLALNRFK
  
Inhibitor
Name:
BDBM50520696
Synonyms:
CHEMBL4524762
Type:
Small organic molecule
Emp. Form.:
C15H15N3O3S
Mol. Mass.:
317.363
SMILES:
COc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1
Structure:
Search PDB for entries with ligand similarity: