Ligand
Ligand Name:   benzyl N-[(8S,11S,14S)-8-formyl-11-(2-methylpropyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
Ligand Type:   peptide-like
Ligand ID:   COVPDB271 PubChem:   127043300
Synonym(s):  
  •   chembl3828550
DrugBank:   - ChEMBL:   CHEMBL3828550
Canonical SMILES:   c12cn(nn1)CCNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2)NC(=O)OCc3ccccc3
Standard InChI:   InChI=1S/C26H35N7O6/c1-17(2)12-21-24(36)28-19(15-34)8-9-23(35)27-10-11-33-14-20(31-32-33)13-22(25(37)29-21)30-26(38)39-16-18-6-4-3-5-7-18/h3-7,14-15,17,19,21-22H,8-13,16H2,1-2H3,(H,27,35)(H,28,36)(H,29,37)(H,30,38)/t19-,21-,22-/m0/s1
Molecular Formula:   C26H35N7O6 Mol. Weight:   541.2649 logP:   0.2402
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) 5E0G 5LG IC50 : 1600 nM PDBBind SHOW