Ligand
Ligand Name:   PCM-0102277
Ligand Type:   non-polymer
Ligand ID:   COVPDB1352 PubChem:   9391886
Synonym(s):  
  •   zinc20268514
  • akos009076013
  • mcule-8595318607
  • upcmld0enat5590550:001
show 3 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1
Standard InChI:   InChI=1S/C11H14Cl2N2OS/c12-7-11(16)15-5-3-14(4-6-15)8-9-1-2-10(13)17-9/h1-2H,3-8H2
Molecular Formula:   C11H14Cl2N2OS Mol. Weight:   292.0204 logP:   2.2845
HBD:   0 HBA:   3
#Rotatable Bonds:   3 TPSA:   23.55

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) 5RFH T6Y
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