Covpdb









Ligand
Ligand Name:   PCM-0102578
Ligand Type:   non-polymer
Ligand ID:   COVPDB1337 PubChem:   736835
Synonym(s):  
  •   n-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide
  • 40023-03-8
  • n-(benzo[d][1,3]dioxol-5-ylmethyl)-2-chloroacetamide
  • acetamide, n-(1,3-benzodioxol-5-ylmethyl)-2-chloro-
  • schembl3567133
  • dtxsid10353115
  • zinc161837
  • albb-002417
  • bbl008435
  • hts007668
  • mfcd02317455
  • stk415757
  • akos000103341
  • mcule-8432463898
  • bs-10287
  • st086311
  • ab0124534
  • db-069916
  • ft-0629065
  • r5827
  • sr-01000039862
  • sr-01000039862-1
  • z56889407
  • f2190-0213
  • n-[(2h-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamide
  • n-[1-(3,4-methylenedioxyphenyl)methyl]-2-chloroacetamide
  • 3-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]acrylicacid
  • n-(2h-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-chloroacetamide
show 27 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)NCc(c1)ccc(c12)OCO2
Standard InChI:   InChI=1S/C10H10ClNO3/c11-4-10(13)12-5-7-1-2-8-9(3-7)15-6-14-8/h1-3H,4-6H2,(H,12,13)
Molecular Formula:   C10H10ClNO3 Mol. Weight:   227.03493 logP:   1.2703
HBD:   1 HBA:   3
#Rotatable Bonds:   3 TPSA:   47.56

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) 5REO T2Y
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