BIOPEP-UWM: Report

ID 197
Name Antithrombotic peptide
sequence
YKVPQLEIVPNSAEER
Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
16
Activity code
at
Activity :
antithrombotic
Chemical mass 1872.0779 Monoisotopic mass 1870.9757
EC50 :
0.00 µM


Bibliographic data:
Authors
Tu M., Feng L., Wang Z., Qiao M., Shahidi F., Lu W., Du M.
Title
Sequence analysis and molecular docking of antithrombotic peptides from casein hydrolysate by trypsin digestion. J. Funct. Foods, 32, 313–323, 2017
Year Source
2017 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O

InChI=1S/C83H134N22O27/c1-10-43(8)66(103-73(122)52(27-31-63(114)115)95-74(123)54(36-40(2)3)98-71(120)49(24-28-59(86)108)96-77(126)57-18-14-34-104(57)80(129)64(41(4)5)101-72(121)48(16-11-12-32-84)93-68(117)47(85)37-45-20-22-46(107)23-21-45)79(128)102-65(42(6)7)81(130)105-35-15-19-58(105)78(127)99-55(38-60(87)109)75(124)100-56(39-106)76(125)91-44(9)67(116)92-50(25-29-61(110)111)69(118)94-51(26-30-62(112)113)70(119)97-53(82(131)132)17-13-33-90-83(88)89/h20-23,40-44,47-58,64-66,106-107H,10-19,24-39,84-85H2,1-9H3,(H2,86,108)(H2,87,109)(H,91,125)(H,92,116)(H,93,117)(H,94,118)(H,95,123)(H,96,126)(H,97,119)(H,98,120)(H,99,127)(H,100,124)(H,101,121)(H,102,128)(H,103,122)(H,110,111)(H,112,113)(H,114,115)(H,131,132)(H4,88,89,90)/t43-,44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-,66-/m0/s1

InChIKey=FAJHCGZAWKIMMH-BMEMDPOTSA-N


Bioactivity predicted using molecular docking


Database reference:
DFBP: ID DFBPANTH0137