BIOPEP-UWM: Report

ID 207
Name Antithrombotic peptide
sequence
DQAMEDIK

Function:
Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR)
 
Number of residues
8
Activity code
at
Activity :
antithrombotic
Chemical mass 949.0357 Monoisotopic mass 948.4207
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])(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/C38H64N10O16S/c1-5-18(2)30(37(62)46-24(38(63)64)8-6-7-14-39)48-36(61)25(17-29(54)55)47-34(59)22(10-12-27(50)51)45-35(60)23(13-15-65-4)43-31(56)19(3)42-33(58)21(9-11-26(41)49)44-32(57)20(40)16-28(52)53/h18-25,30H,5-17,39-40H2,1-4H3,(H2,41,49)(H,42,58)(H,43,56)(H,44,57)(H,45,60)(H,46,62)(H,47,59)(H,48,61)(H,50,51)(H,52,53)(H,54,55)(H,63,64)/t18-,19-,20-,21-,22-,23-,24-,25-,30-/m0/s1

InChIKey=DVBDRXYBGMNVBE-ZIPNSHKTSA-N


Bioactivity predicted using molecular docking




Database reference:
DFBP: ID DFBPANTH0149