BIOPEP-UWM: Report

ID 202
Name Antithrombotic peptide
sequence
TEDQAMEDIK

Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
10
Activity code
at
Activity :
antithrombotic
Chemical mass 1179.2530 Monoisotopic mass 1178.5106
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])([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/C47H78N12O21S/c1-6-21(2)37(46(78)56-28(47(79)80)9-7-8-17-48)59-44(76)30(20-35(68)69)58-40(72)25(11-14-32(62)63)53-42(74)27(16-18-81-5)52-38(70)22(3)51-39(71)24(10-13-31(49)61)54-43(75)29(19-34(66)67)57-41(73)26(12-15-33(64)65)55-45(77)36(50)23(4)60/h21-30,36-37,60H,6-20,48,50H2,1-5H3,(H2,49,61)(H,51,71)(H,52,70)(H,53,74)(H,54,75)(H,55,77)(H,56,78)(H,57,73)(H,58,72)(H,59,76)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,79,80)/t21-,22-,23+,24-,25-,26-,27-,28-,29-,30-,36-,37-/m0/s1

InChIKey=FEPKXZHAURHERY-UPDKQCOXSA-N


Bioactivity predicted using molecular docking




Database reference:
DFBP: ID DFBPANTH0142