BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
HMLHTRY
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@H](CC1=CN=C[NH]1)C(=O)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/C42H64N14O10S/c1-22(2)14-31(53-37(61)30(11-13-67-4)51-35(59)28(43)16-25-18-46-20-49-25)38(62)54-32(17-26-19-47-21-50-26)39(63)56-34(23(3)57)40(64)52-29(6-5-12-48-42(44)45)36(60)55-33(41(65)66)15-24-7-9-27(58)10-8-24/h7-10,18-23,28-34,57-58H,5-6,11-17,43H2,1-4H3,(H,46,49)(H,47,50)(H,51,59)(H,52,64)(H,53,61)(H,54,62)(H,55,60)(H,56,63)(H,65,66)(H4,44,45,48)/t23-,28+,29+,30+,31+,32+,33+,34+/m1/s1 InChIKey=XFWRKLVRVZXUEQ-NJFKTYKDSA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides