Covpdb









Ligand
Ligand Name:   WCK 5153
Ligand Type:   non-polymer
Ligand ID:   COVPDB620 PubChem:   77846238
Synonym(s):  
  •   schembl16940995
  • (2s,5r)-7-oxo-6-sulphooxy-2-[((3r)-pyrrolidine-3-carbonyl)-hydrazino carbonyl]-1,6-diaza-bicyclo[3.2.1]octane
  • [(2s,5r)-7-oxo-2-[[[(3r)-pyrrolidine-3-carbonyl]amino]carbamoyl]-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)[C@@H]2CCNC2)C1=O
Standard InChI:   InChI=1S/C12H19N5O7S/c18-10(7-3-4-13-5-7)14-15-11(19)9-2-1-8-6-16(9)12(20)17(8)24-25(21,22)23/h7-9,13H,1-6H2,(H,14,18)(H,15,19)(H,21,22,23)/t7-,8-,9+/m1/s1
Molecular Formula:   C12H19N5O7S Mol. Weight:   377.10052 logP:   -2.2537
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 6B1X C9D Kd : 40 nM PDBBind SHOW