Ligand
Ligand Name:   benzyl N-[(9S,12S,15S)-9-formyl-12-(2-methylpropyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
Ligand Type:   peptide-like
Ligand ID:   COVPDB272 PubChem:   71682338
Synonym(s):  
  •   chembl2397338
  • schembl16710429
  • bdbm50436488
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2397338
Canonical SMILES:   c1ccccc1COC(=O)N[C@@H](Cc(cn23)nn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCC(=O)NCCC2
Standard InChI:   InChI=1S/C27H37N7O6/c1-18(2)13-22-25(37)29-20(16-35)9-10-24(36)28-11-6-12-34-15-21(32-33-34)14-23(26(38)30-22)31-27(39)40-17-19-7-4-3-5-8-19/h3-5,7-8,15-16,18,20,22-23H,6,9-14,17H2,1-2H3,(H,28,36)(H,29,37)(H,30,38)(H,31,39)/t20-,22-,23-/m0/s1
Molecular Formula:   C27H37N7O6 Mol. Weight:   555.2805 logP:   0.6303
HBD:   4 HBA:   9
#Rotatable Bonds:   6 TPSA:   173.41

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Genome polyprotein Q83883 (POLG_NVN68) Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US) 5E0H 5LH IC50 : 2400 nM PDBBind SHOW
Genome polyprotein Q83883 (POLG_NVN68) Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US) 6BIC 5LH
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