Ligand
Ligand Name:   FPI-1523
Ligand Type:   non-polymer
Ligand ID:   COVPDB283 PubChem:   71682990
Synonym(s):  
  •   chembl4117879
  • schembl15207633
  • bdbm428643
  • us10544146, ex. 40
  • [(2s,5r)-2-(acetamidocarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4117879
Canonical SMILES:   CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O
Standard InChI:   InChI=1S/C9H14N4O7S/c1-5(14)10-11-8(15)7-3-2-6-4-12(7)9(16)13(6)20-21(17,18)19/h6-7H,2-4H2,1H3,(H,10,14)(H,11,15)(H,17,18,19)/t6-,7+/m1/s1
Molecular Formula:   C9H14N4O7S Mol. Weight:   322.05832 logP:   -1.8433
HBD:   3 HBA:   6
#Rotatable Bonds:   3 TPSA:   145.35

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q6XEC0 (Q6XEC0_KLEPN) Klebsiella pneumoniae 5FAS 5VR Kd : 34 nM PDBBind SHOW
Beta-lactamase Q9EXV5 (Q9EXV5_ECOLX) Escherichia coli 5FA7 5VR Kd : 4 nM PDBBind SHOW