BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
DIGSESTEDQAMEDIK
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)NCC(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CO)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)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCSC)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C70H114N18O33S/c1-8-30(3)53(86-57(107)34(72)24-50(100)101)67(117)74-27-46(93)76-43(28-89)65(115)80-37(15-19-48(96)97)61(111)85-44(29-90)66(116)88-55(33(6)91)69(119)81-38(16-20-49(98)99)60(110)83-41(25-51(102)103)63(113)79-35(13-17-45(73)92)58(108)75-32(5)56(106)77-39(21-23-122-7)62(112)78-36(14-18-47(94)95)59(109)84-42(26-52(104)105)64(114)87-54(31(4)9-2)68(118)82-40(70(120)121)12-10-11-22-71/h30-44,53-55,89-91H,8-29,71-72H2,1-7H3,(H2,73,92)(H,74,117)(H,75,108)(H,76,93)(H,77,106)(H,78,112)(H,79,113)(H,80,115)(H,81,119)(H,82,118)(H,83,110)(H,84,109)(H,85,111)(H,86,107)(H,87,114)(H,88,116)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,120,121)/t30-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-,54-,55-/m0/s1 InChIKey=ANGPRRNYIXJJKR-BBXOIXQFSA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides