Covpdb









Ligand
Ligand Name:   PF868554
Ligand Type:   non-polymer
Ligand ID:   COVPDB488 PubChem:   49866619
Synonym(s):  
  •   n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-n-[(1s)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-l-phenylalaninamide
DrugBank:   - ChEMBL:   CHEMBL1230869
Canonical SMILES:   CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)\C=C\C(=O)c1ccccc1
Standard InChI:   InChI=1S/C35H39N3O7/c1-2-12-28(19-21-31(39)27-17-10-5-11-18-27)36-34(43)30(23-25-13-6-3-7-14-25)37-33(42)29(20-22-32(40)41)38-35(44)45-24-26-15-8-4-9-16-26/h3-11,13-19,21,28-30H,2,12,20,22-24H2,1H3,(H,36,43)(H,37,42)(H,38,44)(H,40,41)/b21-19+/t28-,29-,30-/m0/s1
Molecular Formula:   C35H39N3O7 Mol. Weight:   613.2788 logP:   4.5977
HBD:   4 HBA:   6
#Rotatable Bonds:   17 TPSA:   150.9

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Genome polyprotein P26663 (POLG_HCVBK) Hepatitis C virus genotype 1b (isolate BK) (HCV) 3FRZ AG6
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