Ligand
Ligand Name:   PCM-0102972
Ligand Type:   non-polymer
Ligand ID:   COVPDB1359 PubChem:   54592458
Synonym(s):  
  •   2-chloro-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
  • 1306604-32-9
  • schembl22481554
  • zinc68583531
  • akos034078657
  • ne54702
  • en300-46675
  • z291278798
  • 2-chloro-1-{4-[(piperidin-1-yl)carbonyl]piperidin-1-yl}ethan-1-one
show 8 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCC(CC1)C(=O)N2CCCCC2
Standard InChI:   InChI=1S/C13H21ClN2O2/c14-10-12(17)15-8-4-11(5-9-15)13(18)16-6-2-1-3-7-16/h11H,1-10H2
Molecular Formula:   C13H21ClN2O2 Mol. Weight:   272.12915 logP:   1.4763
HBD:   0 HBA:   2
#Rotatable Bonds:   2 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) 5RFO T7S
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