Ligand
Ligand Name:   E64d
Ligand Type:   non-polymer
Ligand ID:   COVPDB742 PubChem:   124305757
Synonym(s):  
  •   zinc5650673
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Standard InChI:   InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13+,14+/m0/s1
Molecular Formula:   C17H30N2O5 Mol. Weight:   342.21548 logP:   1.0101
HBD:   2 HBA:   5
#Rotatable Bonds:   10 TPSA:   97.03

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Polyprotein P1234 P27282 (POLN_EEVVT) Venezuelan equine encephalitis virus (strain Trinidad donkey) (VEEV) 5EZS E6D
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