Ligand
Ligand Name:   WCK 5107
Ligand Type:   non-polymer
Ligand ID:   COVPDB618 PubChem:   77846445
Synonym(s):  
  •   zidebactam
  • 1436861-97-0
  • unii-ypm97423db
  • wck-5107
  • ypm97423db
  • (1r,2s,5r)-7-oxo-2-(2-((r)-piperidine-3-carbonyl)hydrazine-1-carbonyl)-1,6-diazabicyclo[3.2.1]octan-6-yl hydrogen sulfate
  • [(2s,5r)-7-oxo-2-[[[(3r)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
  • zidebactam [inn]
  • zidebactam, (-)-
  • chembl4533605
  • schembl15886199
  • schembl16151824
  • gtpl10874
  • wck5107
  • amy30764
  • db13090
  • sb18711
  • 1,6-diazabicyclo(3.2.1)octane-2-carboxylic acid, 7-oxo-6-(sulfooxy)-, 2-(2-((3r)-3-piperidinylcarbonyl)hydrazide), (1r,2s,5r)-
  • hy-120859
  • cs-0079386
  • j3.628.088c
  • q27294646
  • (2s,5r)-6-sulfooxy-7-oxo-2-[((3r)-piperidine-3-carbonyl)-hydrazinocarbonyl]-1,6-diaza-bicyclo[3.2.1]octane
show 22 synonym(s)
DrugBank:   DB13090 ChEMBL:   CHEMBL4533605
Canonical SMILES:   OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O
Standard InChI:   InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1
Molecular Formula:   C13H21N5O7S Mol. Weight:   391.11618 logP:   -1.8636
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
Carbapenem-hydrolyzing beta-lactamase KPC Q9F663 (BLKPC_KLEPN) Klebsiella pneumoniae 6B1J C8V Kd : 43 nM PDBBind SHOW