Ligand
Ligand Name:   PCM-0102169
Ligand Type:   non-polymer
Ligand ID:   COVPDB1362 PubChem:   16226891
Synonym(s):  
  •   zinc20268516
  • mcule-1172962440
  • upcmld0enat5695609:001
show 2 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCN(Cc2ccc(Br)s2)CC1
Standard InChI:   InChI=1S/C11H14BrClN2OS/c12-10-2-1-9(17-10)8-14-3-5-15(6-4-14)11(16)7-13/h1-2H,3-8H2
Molecular Formula:   C11H14BrClN2OS Mol. Weight:   335.96988 logP:   2.3936
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) 5RFR T81
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