Covpdb









Ligand
Ligand Name:   peptide inhibitor, syc8
Ligand Type:   peptide-like
Ligand ID:   COVPDB80 PubChem:   501956
Synonym(s):  
  •   chembl95007
  • 4imq
  • bdbm50065590
  • ag-6084
  • (s)-2-[(cbz-leu-phe-)amino]-3-(acetylamino)propanal
  • ((s)-1-{(s)-1-[(s)-1-(acetylamino-methyl)-2-oxo-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester
  • (1-{1-[1-(acetylamino-methyl)-2-oxo-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester
  • benzyl n-[(1s)-1-[[(1s)-2-[[(1s)-1-(acetamidomethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate
  • l-phenylalaninamide, n-[(phenylmethoxy)carbonyl]-l-leucyl-n-[2-(acetylamino)-1-formylethyl]-
show 8 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL95007
Canonical SMILES:   c1ccccc1C[C@@H](C(=O)N[C@H](C=O)CNC(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2
Standard InChI:   InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23-,24-,25-/m0/s1
Molecular Formula:   C28H36N4O6 Mol. Weight:   524.2635 logP:   1.8748
HBD:   4 HBA:   6
#Rotatable Bonds:   14 TPSA:   142.7

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) 4IMQ 1HD
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