Ligand |
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Ligand Name: PCM-0102169 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1362 | PubChem: 16226891 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: ClCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 | ||
Standard InChI: InChI=1S/C11H14BrClN2OS/c12-10-2-1-9(17-10)8-14-3-5-15(6-4-14)11(16)7-13/h1-2H,3-8H2 | ||
Molecular Formula: C11H14BrClN2OS | Mol. Weight: 335.96988 | logP: 2.3936 |
HBD: 0 | HBA: 3 | |
#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) | 5RFR | T81 |
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