BIOPEP-UWM: Virtual Peptide Data
ID
Name
Sequence
SPAQILQWQVLSNTVPAK
Chemical Mass
Number of residues
Monoisotopic Mass
EC50
IC50
µM
Additional Information
BIOPEP-UWM Virtual database SMILES: N[C@@]([H])(CO)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCCCN)C(=O)O InChI=1S/C90H146N24O26/c1-14-46(10)71(111-77(126)55(27-30-66(94)119)100-73(122)47(11)98-83(132)63-24-19-33-113(63)88(137)52(92)40-115)86(135)107-58(35-42(2)3)78(127)101-54(26-29-65(93)118)75(124)104-60(37-50-39-97-53-22-16-15-21-51(50)53)80(129)102-56(28-31-67(95)120)76(125)109-69(44(6)7)85(134)106-59(36-43(4)5)79(128)108-62(41-116)82(131)105-61(38-68(96)121)81(130)112-72(49(13)117)87(136)110-70(45(8)9)89(138)114-34-20-25-64(114)84(133)99-48(12)74(123)103-57(90(139)140)23-17-18-32-91/h15-16,21-22,39,42-49,52,54-64,69-72,97,115-117H,14,17-20,23-38,40-41,91-92H2,1-13H3,(H2,93,118)(H2,94,119)(H2,95,120)(H2,96,121)(H,98,132)(H,99,133)(H,100,122)(H,101,127)(H,102,129)(H,103,123)(H,104,124)(H,105,131)(H,106,134)(H,107,135)(H,108,128)(H,109,125)(H,110,136)(H,111,126)(H,112,130)(H,139,140)/t46-,47-,48-,49+,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-/m0/s1 InChIKey=GBMWXPNUZHRVIR-LJLDRPHWSA-N Bioactivity predicted using molecular docking
activity
references
function information
database references
screen and print virtual peptide data
list of virtual peptides