BDBM50343928 CHEMBL1780216::Muraymycin D2

SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O

InChI Key InChIKey=RRTIONDZEJYWBN-VDXVSALRSA-N

Data  2 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50343928   

TargetPhospho-N-acetylmuramoyl-pentapeptide-transferase(Bacillus subtilis)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50343928(CHEMBL1780216 | Muraymycin D2)
Affinity DataKi:  7.60nMAssay Description:Competitive inhibition of Bacillus subtilis MraY using UDP-MurNAc-pentapeptide as substrate after 30 mins by Lineweaver-Burk plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospho-N-acetylmuramoyl-pentapeptide-transferase(Bacillus subtilis)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50343928(CHEMBL1780216 | Muraymycin D2)
Affinity DataKi:  7.60nMAssay Description:Noncompetitive inhibition of Bacillus subtilis MraY using radiolabeled UDP-GlcNAc as substrate after 30 mins by Lineweaver-Burk plotMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospho-N-acetylmuramoyl-pentapeptide-transferase(Bacillus subtilis)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50343928(CHEMBL1780216 | Muraymycin D2)
Affinity DataIC50:  10nMAssay Description:Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospho-N-acetylmuramoyl-pentapeptide-transferase(Bacillus subtilis)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50343928(CHEMBL1780216 | Muraymycin D2)
Affinity DataIC50:  10nMAssay Description:Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUndecaprenyl-phosphate alpha-N-acetylglucosaminyl 1-phosphate transferase(Thermotoga maritima (strain ATCC 43589 / MSB8 / DS...)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50343928(CHEMBL1780216 | Muraymycin D2)
Affinity DataIC50:  1.23E+6nMAssay Description:Inhibition of Thermotoga maritima WecA using radiolabeled UDP-[14C]GlcNAc as substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed