Ligand
Ligand Name:   N-acetyl-L-leucyl-L-phenylalanyl-N-[(1S,2R)-1-(2-carboxyethyl)-3-fluoro-2-oxopropyl]-L-phenylalaninamide
Ligand Type:   peptide-like
Ligand ID:   COVPDB639 PubChem:   101404983
Synonym(s):  
  •   fluoro(n-ac-l-leu-l-phe-l-phe-l-glu-)methane
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)CF
Standard InChI:   InChI=1S/C32H41FN4O7/c1-20(2)16-25(34-21(3)38)30(42)36-27(18-23-12-8-5-9-13-23)32(44)37-26(17-22-10-6-4-7-11-22)31(43)35-24(28(39)19-33)14-15-29(40)41/h4-13,20,24-27H,14-19H2,1-3H3,(H,34,38)(H,35,43)(H,36,42)(H,37,44)(H,40,41)/t24-,25-,26-,27-/m0/s1
Molecular Formula:   C32H41FN4O7 Mol. Weight:   612.2959 logP:   1.8804
HBD:   5 HBA:   6
#Rotatable Bonds:   18 TPSA:   170.77

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Genome polyprotein P08617 (POLG_HAVHM) Human hepatitis A virus genotype IB (isolate HM175) (HHAV) (Human hepatitis A virus (isolate Human/Australia/HM175/1976)) 2HAL CF0
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