BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
NLEGYR
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C32H50N10O11/c1-16(2)12-22(42-27(48)19(33)14-24(34)44)29(50)40-20(9-10-26(46)47)28(49)38-15-25(45)39-23(13-17-5-7-18(43)8-6-17)30(51)41-21(31(52)53)4-3-11-37-32(35)36/h5-8,16,19-23,43H,3-4,9-15,33H2,1-2H3,(H2,34,44)(H,38,49)(H,39,45)(H,40,50)(H,41,51)(H,42,48)(H,46,47)(H,52,53)(H4,35,36,37)/t19-,20-,21-,22-,23-/m0/s1 InChIKey= XQJSWUKPXODVFE-VUBDRERZSA-N Preliminary predictions were done using QSAR (program AnOxPePred). Interactions between peptide and receptors were predicted using molecular docking.
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides