Ligand
Ligand Name:   PCM-0102425
Ligand Type:   non-polymer
Ligand ID:   COVPDB1336 PubChem:   9115242
Synonym(s):  
  •   zinc7986266
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCC[C@H](C1)c(s2)nc(c23)cccc3
Standard InChI:   InChI=1S/C14H15ClN2OS/c15-8-13(18)17-7-3-4-10(9-17)14-16-11-5-1-2-6-12(11)19-14/h1-2,5-6,10H,3-4,7-9H2/t10-/m1/s1
Molecular Formula:   C14H15ClN2OS Mol. Weight:   294.05936 logP:   3.2411
HBD:   0 HBA:   3
#Rotatable Bonds:   2 TPSA:   33.2

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) 5REN T2V
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