Covpdb









Ligand
Ligand Name:   PCM-0103072
Ligand Type:   non-polymer
Ligand ID:   COVPDB1344 PubChem:   47002695
Synonym(s):  
  •   2-chloro-n-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
  • 1221724-55-5
  • 2-chloro-n-{3-[(thiomorpholin-4-yl)carbonyl]phenyl}acetamide
  • zinc47843876
  • akos033429361
  • ne25464
  • en300-61073
  • z1562133908
show 7 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)Nc1cccc(c1)C(=O)N2CCSCC2
Standard InChI:   InChI=1S/C13H15ClN2O2S/c14-9-12(17)15-11-3-1-2-10(8-11)13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17)
Molecular Formula:   C13H15ClN2O2S Mol. Weight:   298.0543 logP:   2.0529
HBD:   1 HBA:   3
#Rotatable Bonds:   3 TPSA:   49.41

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) 5REV T4J
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