BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
NHRMLRYRY
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](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C57H89N21O13S/c1-30(2)23-41(76-50(86)40(18-22-92-3)74-47(83)37(7-4-19-67-55(60)61)73-53(89)43(26-33-28-66-29-70-33)75-46(82)36(58)27-45(59)81)51(87)71-38(8-5-20-68-56(62)63)48(84)77-42(24-31-10-14-34(79)15-11-31)52(88)72-39(9-6-21-69-57(64)65)49(85)78-44(54(90)91)25-32-12-16-35(80)17-13-32/h10-17,28-30,36-44,79-80H,4-9,18-27,58H2,1-3H3,(H2,59,81)(H,66,70)(H,71,87)(H,72,88)(H,73,89)(H,74,83)(H,75,82)(H,76,86)(H,77,84)(H,78,85)(H,90,91)(H4,60,61,67)(H4,62,63,68)(H4,64,65,69)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 InChIKey=SQJRPAZTAHCGCA-FSLKYBNLSA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides