Covpdb









Ligand
Ligand Name:   PCM-0102389
Ligand Type:   non-polymer
Ligand ID:   COVPDB1356 PubChem:   39869608
Synonym(s):  
  •   1-(2-chloroacetyl)-n-(2-hydroxyphenyl)piperidine-4-carboxamide
  • 1087792-13-9
  • zinc32627093
  • akos008105411
  • mcule-2578941497
  • ne61867
  • en300-36856
show 6 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Oc1ccccc1NC(=O)C2CCN(CC2)C(=O)CCl
Standard InChI:   InChI=1S/C14H17ClN2O3/c15-9-13(19)17-7-5-10(6-8-17)14(20)16-11-3-1-2-4-12(11)18/h1-4,10,18H,5-9H2,(H,16,20)
Molecular Formula:   C14H17ClN2O3 Mol. Weight:   296.09277 logP:   1.8081
HBD:   2 HBA:   3
#Rotatable Bonds:   3 TPSA:   69.64

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) 5RFL T7G
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