Ligand |
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Ligand Name: C6Z inhibitor | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB28 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C#N | ||
Standard InChI: InChI=1S/C19H34N6O4/c1-10(2)8-14(18(28)23-13(9-20)6-7-15(22)26)24-19(29)16(11(3)4)25-17(27)12(5)21/h10-14,16H,6-8,21H2,1-5H3,(H2,22,26)(H,23,28)(H,24,29)(H,25,27)/t12-,13-,14-,16-/m0/s1 | ||
Molecular Formula: C19H34N6O4 | Mol. Weight: 410.26416 | logP: -0.72082 |
HBD: 5 | HBA: 6 | |
#Rotatable Bonds: 12 | TPSA: 180.2 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Replicase polyprotein 1a | P0C6U8 (R1A_SARS) | Severe acute respiratory syndrome coronavirus (SARS-CoV) | 3VB6 | 0JU |
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SHOW |