BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
NRMLTTHRYY
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])(CCCNC(=N)N)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@H](CC1=CN=C[NH]1)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O InChI=1S/C59H91N19O16S/c1-29(2)22-41(73-51(87)40(18-21-95-5)72-49(85)38(8-6-19-67-58(62)63)70-48(84)37(60)26-45(61)83)54(90)77-47(31(4)80)56(92)78-46(30(3)79)55(91)75-43(25-34-27-66-28-69-34)53(89)71-39(9-7-20-68-59(64)65)50(86)74-42(23-32-10-14-35(81)15-11-32)52(88)76-44(57(93)94)24-33-12-16-36(82)17-13-33/h10-17,27-31,37-44,46-47,79-82H,6-9,18-26,60H2,1-5H3,(H2,61,83)(H,66,69)(H,70,84)(H,71,89)(H,72,85)(H,73,87)(H,74,86)(H,75,91)(H,76,88)(H,77,90)(H,78,92)(H,93,94)(H4,62,63,67)(H4,64,65,68)/t30-,31-,37+,38+,39+,40+,41+,42+,43+,44+,46+,47+/m1/s1 InChIKey=IIXATVUONFAYNG-SZYUZNEFSA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides