Ligand |
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| Ligand Name: Z147647874 | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1368 | PubChem: 7131790 | |
Synonym(s):
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| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: ClCC(=O)N1CCN(Cc2cccs2)CC1 | ||
| Standard InChI: InChI=1S/C11H15ClN2OS/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2 | ||
| Molecular Formula: C11H15ClN2OS | Mol. Weight: 258.05936 | logP: 1.6311 |
| 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) | 5RHA | T8M |
- |
- |
SHOW |
| Replicase polyprotein 1ab | P0DTD1 (R1AB_SARS2) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) | 5RFW | T8M |
- |
- |
SHOW |