Ligand
Ligand Name:   PCM-0102974
Ligand Type:   non-polymer
Ligand ID:   COVPDB1370 PubChem:   52908108
Synonym(s):  
  •   1-(2-chloroacetyl)-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide
  • 1311314-48-3
  • schembl22481553
  • zinc62146628
  • akos033429348
  • ne34347
  • en300-47990
  • z1562125280
show 7 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CCl
Standard InChI:   InChI=1S/C12H21ClN2O2/c1-9(2)14(3)12(17)10-4-6-15(7-5-10)11(16)8-13/h9-10H,4-8H2,1-3H3
Molecular Formula:   C12H21ClN2O2 Mol. Weight:   260.12915 logP:   1.3306
HBD:   0 HBA:   2
#Rotatable Bonds:   3 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) 5RFY T8S
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