Ligand
Ligand Name:   (3-chlorophenyl)methyl N-[(1S)-2-cyclohexyl-1-{[(2S)-1-(diethoxyphosphoryl)-1-oxo-3-(2-oxo-2H-pyrrol-3-yl)propan-2-yl]carbamoyl}ethyl]carbamate
Ligand Type:   non-polymer
Ligand ID:   COVPDB210 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C1N=CC=C1C[C@@H](C(=O)P(=O)(OCC)OCC)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(Cl)c3
Standard InChI:   InChI=1S/C28H37ClN3O8P/c1-3-39-41(37,40-4-2)27(35)24(17-21-13-14-30-25(21)33)31-26(34)23(16-19-9-6-5-7-10-19)32-28(36)38-18-20-11-8-12-22(29)15-20/h8,11-15,19,23-24H,3-7,9-10,16-18H2,1-2H3,(H,31,34)(H,32,36)/t23-,24-/m0/s1
Molecular Formula:   C28H37ClN3O8P Mol. Weight:   609.2007 logP:   5.1102
HBD:   2 HBA:   8
#Rotatable Bonds:   15 TPSA:   149.46

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) 4XBB 3ZR IC50 : >10000 nM PDBBind SHOW