Ligand
Ligand Name:   PCM-0102535
Ligand Type:   non-polymer
Ligand ID:   COVPDB1372 PubChem:   2050526
Synonym(s):  
  •   565165-44-8
  • 1-(4-acetyl-piperazin-1-yl)-2-chloro-ethanone
  • 1-(4-acetylpiperazin-1-yl)-2-chloroethanone
  • 1-(4-acetylpiperazin-1-yl)-2-chloroethan-1-one
  • 1-acetyl-4-(chloroacetyl)piperazine
  • mfcd03964675
  • schembl5693136
  • 1-acetyl-4-chloroacetylpiperazine
  • dtxsid30365997
  • zinc2456527
  • akos000263235
  • fs-5222
  • mcule-8064927847
  • ne18007
  • ft-0690665
  • z56886547
  • f1929-0264
show 16 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)N1CCN(CC1)C(=O)CCl
Standard InChI:   InChI=1S/C8H13ClN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3
Molecular Formula:   C8H13ClN2O2 Mol. Weight:   204.06656 logP:   -0.0841
HBD:   0 HBA:   2
#Rotatable Bonds:   1 TPSA:   40.62

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 5RG0 T8Y
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