Ligand |
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Ligand Name: PCM-0102615 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1339 | PubChem: 51889847 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: Fc1ccc(cc1)[C@H]2CN(CCO2)C(=O)CCl | ||
Standard InChI: InChI=1S/C12H13ClFNO2/c13-7-12(16)15-5-6-17-11(8-15)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2/t11-/m1/s1 | ||
Molecular Formula: C12H13ClFNO2 | Mol. Weight: 257.0619 | logP: 1.9644 |
HBD: 0 | HBA: 2 | |
#Rotatable Bonds: 2 | TPSA: 29.54 |
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) | 5RER | T3J |
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