Ligand
Ligand Name:   (2S)-2-[5-(3-chlorobenzyl)-2-oxooxazolidin-3-yl]-4-methyl-N-[(S)-1-oxo-3-{(S)-2-oxopyrrolidin-3-yl} propan-2-yl] pentanamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1436 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Clc1cc(ccc1)C[C@H]2OC(=O)N(C2)[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O
Standard InChI:   InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19+,20-/m0/s1
Molecular Formula:   C23H30ClN3O5 Mol. Weight:   463.1874 logP:   2.3279
HBD:   2 HBA:   5
#Rotatable Bonds:   10 TPSA:   104.81

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) 5WEJ V45 IC50 : 15300 nM PDBBind SHOW