Ligand |
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Ligand Name: N-benzoyl-L-norleucyl-6-ammonio-L-norleucyl-N~5~-[amino(iminio)methyl]-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-L-ornithinamide | ||
Ligand Type: peptide-like | ||
Ligand ID: COVPDB1175 | PubChem: 6857723 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL256877 | |
Canonical SMILES: CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C=O | ||
Standard InChI: InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1 | ||
Molecular Formula: C31H53N11O5 | Mol. Weight: 659.4231 | logP: -0.71596 |
HBD: 11 | HBA: 8 | |
#Rotatable Bonds: 24 | TPSA: 283.29 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Genome polyprotein | P06935 (POLG_WNV) | West Nile virus (WNV) | 2FP7 | OAR |
- |
- |
SHOW |
Genome polyprotein | Q5UB51 (POLG_DEN3I) | Dengue virus type 3 (strain Singapore/8120/1995) (DENV-3) | 3U1I | OAR |
- |
- |
SHOW |