Ligand |
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Ligand Name: PCM-0102269 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1342 | PubChem: 16226890 | |
Synonym(s):
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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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