Untitled Document

BIOPEP-UWM: Virtual Peptide Data

ID		Name
Sequence	FFVAPFPEVFGK
	FFVAPFPEVFGK

Chemical Mass		Number of residues
Monoisotopic Mass			µM

Additional Information

BIOPEP-UWM Virtual database

SMILES: N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)NCC(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C72H97N13O15/c1-43(2)60(83-65(92)54(40-48-26-14-8-15-27-48)79-62(89)50(74)38-46-22-10-6-11-23-46)68(95)76-45(5)70(97)84-36-20-31-56(84)67(94)81-55(41-49-28-16-9-17-29-49)71(98)85-37-21-32-57(85)66(93)78-51(33-34-59(87)88)64(91)82-61(44(3)4)69(96)80-53(39-47-24-12-7-13-25-47)63(90)75-42-58(86)77-52(72(99)100)30-18-19-35-73/h6-17,22-29,43-45,50-57,60-61H,18-21,30-42,73-74H2,1-5H3,(H,75,90)(H,76,95)(H,77,86)(H,78,93)(H,79,89)(H,80,96)(H,81,94)(H,82,91)(H,83,92)(H,87,88)(H,99,100)/t45-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1

InChIKey: ILZZTQYNTRWQSJ-QUXGTSCRSA-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 BIOPEP-UWM database of bioactive peptides (ID 7800); the DFBP database; the PepBank database
Anticancer peptide according to the BIOPEP-UWM database of bioactive peptides (ID 8311); the DFBP database

Bitter peptide according to the BIOPEP-UWM database of sensory peptides and amino acids (ID 380); the EROP-Moscow database

screen and print virtual peptide data

list of virtual peptides

Bioactive peptides links	BIO 7800	BIO 8311
Sensory peptides and amino acids links	Sens 380