BDBM104100 (5S)-PA::(5S)-Penicilloic acid

SMILES CCN1CCN(C(=O)N[C@H](C2CC=CC=C2)C(=O)N[C@@H]([C@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=O)C(=O)C1=O

InChI Key InChIKey=DRABKWVIJCNTBH-GLFGTKSUSA-N

Data  1 IC50

  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 1 hit for monomerid = 104100   

TargetPeptidoglycan D,D-transpeptidase FtsI(Pseudomonas aeruginosa)
University of Oxford

LigandPNGBDBM104100((5S)-PA | (5S)-Penicilloic acid)
Affinity DataIC50:  1.26E+5nMpH: 7.2 T: 2°CAssay Description:An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed