Covpdb









Ligand
Ligand Name:   WCK 4234
Ligand Type:   non-polymer
Ligand ID:   COVPDB619 PubChem:   71535519
Synonym(s):  
  •   chembl4598144
  • schembl15629118
  • schembl16982841
  • [(2s,5r)-2-cyano-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4598144
Canonical SMILES:   OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C#N)C1=O
Standard InChI:   InChI=1S/C7H9N3O5S/c8-3-5-1-2-6-4-9(5)7(11)10(6)15-16(12,13)14/h5-6H,1-2,4H2,(H,12,13,14)/t5-,6+/m0/s1
Molecular Formula:   C7H9N3O5S Mol. Weight:   247.02629 logP:   -0.48702
HBD:   1 HBA:   5
#Rotatable Bonds:   2 TPSA:   110.94

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 6B1H C8Y Kd : 1.9 nM PDBBind SHOW
Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 6B1F C8Y Kd : 1.9 nM PDBBind SHOW