Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50022572
Substrate
n/a
Meas. Tech.
ChEMBL_52572 (CHEMBL664608)
IC50
165000±n/a nM
Citation
 Parsons, WH; Patchett, AA; Bull, HG; Schoen, WR; Taub, D; Davidson, J; Combs, PL; Springer, JP; Gadebusch, H; Weissberger, B Phosphinic acid inhibitors of D-alanyl-D-alanine ligase. J Med Chem 31:1772-8 (1988) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
50136.19
Organism:
Staphylococcus epidermidis (strain ATCC 35984 / RP62A)
Description:
ChEMBL_52572
Residue:
451
Sequence:
MINVTLEQIKNWIDCEIDEKHLKKTINGVSIDSRKINEGALFIPFKGENVDGHRFITQALNDGAGAVFSEKENKHSEGNQGPIIWVEDTLIALQQLAKAYLNHVNPKVIAVTGSNGKTTTKDMIESVLSTEFKVKKTQGNYNNEIGMPLTLLELDEDTEISILEMGMSGFHQIELLSHIAQPDIAVITNIGESHMQDLGSREGIAKAKFEITTGLKTNGIFIYDGDEPLLKPHVNQVKNAKLISIGLNSDSTYTCHMNDVKNEGIHFTINQKEHYHLPILGTHNMKNAAIAIAIGHELGLNETIIQNNIHNVQLTAMRMERHESSNNVTVINDAYNASPTSMKAAIDTLSVMKGRKILILADVLELGPNSQLMHKQVGEYLKDKNIDVLYTFGKEASYIYDSGKVFVKEAKYFDNKDQLIQTLISQVKPEDKVLVKGSRGMKLEEVVDALL
  
Inhibitor
Name:
BDBM50022572
Synonyms:
3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid;hydrate | 3-[(1-amino-ethyl)-hydroxy-phosphin | CHEMBL2093127 | CHEMBL49180
Type:
Small organic molecule
Emp. Form.:
C6H14NO4P
Mol. Mass.:
195.1534
SMILES:
CC(CP(O)(O)C(C)=N)C(O)=O
Structure:
Search PDB for entries with ligand similarity: