BIOPEP-UWM: Report
| ID | 212 |
| Name | Antithrombotic peptide |
| sequence |
| Function: | |||
| Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR) | |||
| Number of residues | 12 |
Activity code | at |
| Activity : | antithrombotic |
|||
| Chemical mass | 1351.5502 | Monoisotopic mass | 1350.7709 | |
| EC50 : | 0.00 µM |
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| 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])(CCC(=O)O)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)O InChI=1S/C77H130N24O25/c1-12-37(8)57(70(120)98-59(40(11)103)74(124)101-29-17-22-50(101)69(119)97-58(39(10)102)71(121)93-44(30-34(2)3)64(114)92-46(32-52(80)105)65(115)89-43(75(125)126)19-14-26-86-77(83)84)96-68(118)49-21-16-28-100(49)72(122)55(35(4)5)94-60(110)38(9)87-63(113)45(31-51(79)104)91-62(112)42(18-13-25-85-76(81)82)88-67(117)48-20-15-27-99(48)73(123)56(36(6)7)95-66(116)47(33-54(108)109)90-61(111)41(78)23-24-53(106)107/h34-50,55-59,102-103H,12-33,78H2,1-11H3,(H2,79,104)(H2,80,105)(H,87,113)(H,88,117)(H,89,115)(H,90,111)(H,91,112)(H,92,114)(H,93,121)(H,94,110)(H,95,116)(H,96,118)(H,97,119)(H,98,120)(H,106,107)(H,108,109)(H,125,126)(H4,81,82,85)(H4,83,84,86)/t37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,55-,56-,57-,58-,59-/m0/s1 InChIKey=KCHCIAUQBPMKKQ-GEBAWBRLSA-N Bioactivity predicted using molecular docking |
| Database reference: |
| DFBP: DFBPANTH0155 |