Ligand
Ligand Name:   PCM-0102248
Ligand Type:   non-polymer
Ligand ID:   COVPDB1407 PubChem:   2404787
Synonym(s):  
  •   2-chloro-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
  • 2-chloro-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
  • 729578-87-4
  • 2-chloro-1-(4-(furan-2-carbonyl)piperazin-1-yl)ethanone
  • zinc3289266
  • akos000671703
  • mcule-5737028138
  • 1-(chloroacetyl)-4-(2-furoyl)piperazine
  • st50339983
  • 2-chloro-1-[4-(2-furylcarbonyl)piperazinyl]ethan-1-one
  • f2158-1311
show 10 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCN(CC1)C(=O)c2ccco2
Standard InChI:   InChI=1S/C11H13ClN2O3/c12-8-10(15)13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2
Molecular Formula:   C11H13ClN2O3 Mol. Weight:   256.06146 logP:   0.8028
HBD:   0 HBA:   3
#Rotatable Bonds:   2 TPSA:   53.76

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) 5RGO U1G
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