BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
MLHTRY
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C36H57N11O9S/c1-19(2)14-26(44-30(50)24(37)11-13-57-4)32(52)45-27(16-22-17-40-18-42-22)33(53)47-29(20(3)48)34(54)43-25(6-5-12-41-36(38)39)31(51)46-28(35(55)56)15-21-7-9-23(49)10-8-21/h7-10,17-20,24-29,48-49H,5-6,11-16,37H2,1-4H3,(H,40,42)(H,43,54)(H,44,50)(H,45,52)(H,46,51)(H,47,53)(H,55,56)(H4,38,39,41)/t20-,24+,25+,26+,27+,28+,29+/m1/s1 InChIKey=KTLBPJBSBDKRPD-QSIMWIKCSA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides