Ligand
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):  
  •   bz-nle-lys-arg-arg-h
  • chembl256877
  • bz-nkrr-h
  • bdbm33259
  • (s)-2-[(bz-l-nle-l-lys-l-arg-)amino]-5-guanidinopentanal
show 4 synonym(s)
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
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SHOW
Genome polyprotein Q5UB51 (POLG_DEN3I) Dengue virus type 3 (strain Singapore/8120/1995) (DENV-3) 3U1I OAR
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SHOW