BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
QSW
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O InChI=1S/C19H25N5O6/c20-12(5-6-16(21)26)17(27)24-15(9-25)18(28)23-14(19(29)30)7-10-8-22-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,22,25H,5-7,9,20H2,(H2,21,26)(H,23,28)(H,24,27)(H,29,30)/t12-,14-,15-/m0/s1 InChIKey=QENSHQJGWGRPQS-QEJZJMRPSA-N Activity predicted using QSAR Predicted ligand of SARS-CoV-2 parent protease (EC 3.4.22.69) (MEROPS ID: C30.007) (PDB ID: 6LU7) according to the BIOPEP-UWM Virtual database (ID 55)
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list of virtual peptides
Virtual peptides links
Virt 55