Ligand
Ligand Name:   PCM-0102269
Ligand Type:   non-polymer
Ligand ID:   COVPDB1342 PubChem:   16226890
Synonym(s):  
  •   zinc12504845
  • mcule-5986320222
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   ClCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
Standard InChI:   InChI=1S/C13H16Cl2N2O/c14-9-13(18)17-6-4-16(5-7-17)10-11-2-1-3-12(15)8-11/h1-3,8H,4-7,9-10H2
Molecular Formula:   C13H16Cl2N2O Mol. Weight:   286.06396 logP:   2.223
HBD:   0 HBA:   2
#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) 5RET T47
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