Ligand |
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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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