Ligand
Ligand Name:   PG-COV-34
Ligand Type:   non-polymer
Ligand ID:   COVPDB1426 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1N(C)C(=O)C2CCN(CC2)C(=O)CCl
Standard InChI:   InChI=1S/C15H19ClN2O2/c1-17(13-5-3-2-4-6-13)15(20)12-7-9-18(10-8-12)14(19)11-16/h2-6,12H,7-11H2,1H3
Molecular Formula:   C15H19ClN2O2 Mol. Weight:   294.1135 logP:   2.1268
HBD:   0 HBA:   2
#Rotatable Bonds:   3 TPSA:   40.62

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) 5RHF UPJ
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