BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
ITVDDKHYQK
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C55H87N15O18/c1-6-28(4)43(59)52(84)70-45(29(5)71)54(86)69-44(27(2)3)53(85)68-39(24-42(76)77)51(83)67-38(23-41(74)75)50(82)62-33(11-7-9-19-56)46(78)66-37(22-31-25-60-26-61-31)49(81)65-36(21-30-13-15-32(72)16-14-30)48(80)63-34(17-18-40(58)73)47(79)64-35(55(87)88)12-8-10-20-57/h13-16,25-29,33-39,43-45,71-72H,6-12,17-24,56-57,59H2,1-5H3,(H2,58,73)(H,60,61)(H,62,82)(H,63,80)(H,64,79)(H,65,81)(H,66,78)(H,67,83)(H,68,85)(H,69,86)(H,70,84)(H,74,75)(H,76,77)(H,87,88)/t28-,29+,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-/m0/s1 InChIKey=IWNQKYGOVOZFNB-JSTGFVGYSA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides