Reaction Details Report a problem with these data
Target
Phospho-N-acetylmuramoyl-pentapeptide-transferase
Ligand
BDBM50615881
Substrate
n/a
Meas. Tech.
ChEMBL_2304680
IC50
1800±n/a nM
Citation
 Okamoto, K; Ishikawa, A; Okawa, R; Yamamoto, K; Sato, T; Yokota, SI; Chiba, K; Ichikawa, S Design, synthesis and biological evaluation of simplified analogues of MraY inhibitory natural product with rigid scaffold. Bioorg Med Chem 55:0 (2022) [PubMed] 
Target
Name:
Phospho-N-acetylmuramoyl-pentapeptide-transferase
Synonyms:
MRAY_STAAU | mraY
Type:
PROTEIN
Mol. Mass.:
35238.55
Organism:
Staphylococcus aureus (strain MRSA252)
Description:
ChEMBL_827497
Residue:
321
Sequence:
MIFVYALLALVITFVLVPVLIPTLKRMKFGQSIREEGPQSHMKKTGTPTMGGLTFLLSIVITSLVAIIFVDQANPIILLLFVTIGFGLIGFIDDYIIVVKKNNQGLTSKQKFLAQIGIAIIFFVLSNVFHLVNFSTSIHIPFTNVAIPLSFAYVIFIVFWQVGFSNAVNLTDGLDGLATGLSIIGFTMYAIMSFVLGETAIGIFCIIMLFALLGFLPYNINPAKVFMGDTGSLALGGIFATISIMLNQELSLIFIGLVFVIETLSVMLQVASFKLTGKRIFKMSPIHHHFELIGWSEWKVVTVFWAVGLISGLIGLWIGVH
  
Inhibitor
Name:
BDBM50615881
Synonyms:
CHEMBL5290020
Type:
Small organic molecule
Emp. Form.:
C22H26N4O9
Mol. Mass.:
490.4632
SMILES:
[H][C@@]1(O[C@@H](C#Cc2cccc(N)c2)[C@@]2([H])O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CN)[C@@H](O)[C@H]1O |r|
Structure:
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