Ligand |
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Ligand Name: PG-COV-42 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1424 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: COc1ccc(cn1)NC(=O)C2CCN(CC2)C(=O)CCl | ||
Standard InChI: InChI=1S/C14H18ClN3O3/c1-21-12-3-2-11(9-16-12)17-14(20)10-4-6-18(7-5-10)13(19)8-15/h2-3,9-10H,4-8H2,1H3,(H,17,20) | ||
Molecular Formula: C14H18ClN3O3 | Mol. Weight: 311.10367 | logP: 1.5061 |
HBD: 1 | HBA: 4 | |
#Rotatable Bonds: 4 | TPSA: 71.53 |
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) | 5RHE | UPD |
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SHOW |