Ligand
Ligand Name:   FPI-1465
Ligand Type:   non-polymer
Ligand ID:   COVPDB284 PubChem:   71714408
Synonym(s):  
  •   schembl15207494
  • schembl16622623
  • sb17185
  • (2s,5r)-7-oxo-n-[(3s)-pyrrolidin-3-yloxy]-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
  • [(2s,5r)-7-oxo-2-[[(3s)-pyrrolidin-3-yl]oxycarbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
  • 1452458-72-8
show 5 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NO[C@H]2CCNC2)C1=O
Standard InChI:   InChI=1S/C11H18N4O7S/c16-10(13-21-8-3-4-12-5-8)9-2-1-7-6-14(9)11(17)15(7)22-23(18,19)20/h7-9,12H,1-6H2,(H,13,16)(H,18,19,20)/t7-,8+,9+/m1/s1
Molecular Formula:   C11H18N4O7S Mol. Weight:   350.08963 logP:   -1.6009
HBD:   3 HBA:   7
#Rotatable Bonds:   5 TPSA:   137.51

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 5FAQ 5VW Kd : 5300 nM PDBBind SHOW