BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
FQSEEQQQTEDELQDK
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C81H124N22O36/c1-36(2)31-50(76(133)94-43(15-24-57(87)109)71(128)101-52(34-64(121)122)78(135)98-49(81(138)139)11-7-8-30-82)99-72(129)47(19-28-61(115)116)95-77(134)51(33-63(119)120)100-73(130)48(20-29-62(117)118)97-80(137)65(37(3)105)103-75(132)44(16-25-58(88)110)92-68(125)42(14-23-56(86)108)90-67(124)41(13-22-55(85)107)91-69(126)45(17-26-59(111)112)93-70(127)46(18-27-60(113)114)96-79(136)53(35-104)102-74(131)40(12-21-54(84)106)89-66(123)39(83)32-38-9-5-4-6-10-38/h4-6,9-10,36-37,39-53,65,104-105H,7-8,11-35,82-83H2,1-3H3,(H2,84,106)(H2,85,107)(H2,86,108)(H2,87,109)(H2,88,110)(H,89,123)(H,90,124)(H,91,126)(H,92,125)(H,93,127)(H,94,133)(H,95,134)(H,96,136)(H,97,137)(H,98,135)(H,99,129)(H,100,130)(H,101,128)(H,102,131)(H,103,132)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,138,139)/t37-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,65+/m1/s1 InChIKey=ZLAWVRQYPFJYRM-VKRFTZFASA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides