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BIOPEP-UWM: Virtual Peptide Data

ID		Name
Sequence	AVL
	AVL

Chemical Mass		Number of residues
Monoisotopic Mass			µM

Additional Information

BIOPEP-UWM Virtual database

SMILES: N[C@@]([H])(C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)O

InChI=1S/C14H27N3O4/c1-7(2)6-10(14(20)21)16-13(19)11(8(3)4)17-12(18)9(5)15/h7-11H,6,15H2,1-5H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1

InChIKey=RFJNDTQGEJRBHO-DCAQKATOSA-N

Bioactivity predicted using molecular docking

Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) according to the AHTPDB database; the BindingDB database; the BIOPEP-UWM database of bioactive peptides (ID 9060); the ChEMBL database; the DFBP database; the EROP-Moscow database

Predicted ligand of calpain 1 (EC 3.4.22.52) (MEROPS ID: C02.001) (AlphaFold ID: AF-P07384-F1) according to the BIOPEP-UWM Virtual database (ID 266)
Predicted ligand of cyclooxygenase-2 (COX-2) (EC 1.14.99.1) (PDB ID: 5K1R) according to the BIOPEP-UWM Virtual database: (ID 285)
Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 3Q8W) according to the BIOPEP-UWM Virtual database: (ID 288)

screen and print virtual peptide data

list of virtual peptides

Bioactive peptides links	BIO 9060
Virtual peptides links	Virt 266	Virt 285	Virt 288