Covpdb









Ligand
Ligand Name:   PCM-0102179
Ligand Type:   non-polymer
Ligand ID:   COVPDB1361 PubChem:   16227181
Synonym(s):  
  •   2-chloro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
  • 923177-94-0
  • 2-chloro-n-(3-(2-oxopyrrolidin-1-yl)phenyl)acetamide
  • zinc9596240
  • akos009096804
  • mcule-2614506947
  • ne37446
  • upcmld0enat5652293:001
  • en300-24592
  • j-509120
  • z220383534
show 10 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)Nc1cccc(c1)N2CCCC2=O
Standard InChI:   InChI=1S/C12H13ClN2O2/c13-8-11(16)14-9-3-1-4-10(7-9)15-6-2-5-12(15)17/h1,3-4,7H,2,5-6,8H2,(H,14,16)
Molecular Formula:   C12H13ClN2O2 Mol. Weight:   252.06656 logP:   1.9907
HBD:   1 HBA:   2
#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) 5RFQ T7Y
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