Ligand
Ligand Name:   (2S)-2-((S)-3-cyclohexyl-2-((3-(4-methoxyphenoxy)propyl)sulfon amido)propanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1130 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   COc1ccc(OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(O)(=O)=O)cc1
Standard InChI:   InChI=1S/C26H41N3O10S2/c1-38-20-8-10-21(11-9-20)39-14-5-15-40(33,34)29-22(16-18-6-3-2-4-7-18)25(31)28-23(26(32)41(35,36)37)17-19-12-13-27-24(19)30/h8-11,18-19,22-23,26,29,32H,2-7,12-17H2,1H3,(H,27,30)(H,28,31)(H,35,36,37)/t19-,22-,23-,26+/m0/s1
Molecular Formula:   C26H41N3O10S2 Mol. Weight:   619.2233 logP:   0.9397
HBD:   5 HBA:   9
#Rotatable Bonds:   16 TPSA:   197.43

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) 5T6F N38 IC50 : 1600 nM PDBBind SHOW
Genome polyprotein Q83883 (POLG_NVN68) Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US) 5T6D N38
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SHOW