Ligand
Ligand Name:   FPI-1602
Ligand Type:   non-polymer
Ligand ID:   COVPDB286 PubChem:   71724591
Synonym(s):  
  •   schembl15207831
  • (2r,5s)-n'-(azetidin-3-ylcarbonyl)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
  • [(2r,5s)-2-[(azetidine-3-carbonylamino)carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
show 2 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OS(=O)(=O)ON1[C@@H]2CN([C@H](CC2)C(=O)NNC(=O)C2CNC2)C1=O
Standard InChI:   InChI=1S/C11H17N5O7S/c17-9(6-3-12-4-6)13-14-10(18)8-2-1-7-5-15(8)11(19)16(7)23-24(20,21)22/h6-8,12H,1-5H2,(H,13,17)(H,14,18)(H,20,21,22)/t7-,8+/m0/s1
Molecular Formula:   C11H17N5O7S Mol. Weight:   363.08487 logP:   -2.6438
HBD:   4 HBA:   7
#Rotatable Bonds:   4 TPSA:   157.38

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 5FAT 602 Kd : 110 nM PDBBind SHOW