Ligand
Ligand Name:   PCM-0102739
Ligand Type:   non-polymer
Ligand ID:   COVPDB1363 PubChem:   50988459
Synonym(s):  
  •   zinc37654091
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCN(Cc2ccsc2)CC1
Standard InChI:   InChI=1S/C11H15ClN2OS/c12-7-11(15)14-4-2-13(3-5-14)8-10-1-6-16-9-10/h1,6,9H,2-5,7-8H2
Molecular Formula:   C11H15ClN2OS Mol. Weight:   258.05936 logP:   1.6311
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) 5RFS T84
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