BIOPEP-UWM: Report
| ID | 198 |
| Name | Antithrombotic peptide |
| sequence |
| Function: | |||
| Predicted ligand of Thrombin (EC 3.4.21.5) (MEROPS ID: S01.217) (PDB code: 2BVR) | |||
| Number of residues | 15 |
Activity code | at |
| Activity : | antithrombotic |
|||
| Chemical mass | 1708.9050 | Monoisotopic mass | 1707.9126 | |
| 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])(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/C74H125N21O25/c1-10-38(8)58(93-64(110)44(23-27-55(103)104)85-65(111)46(32-35(2)3)88-63(109)41(20-24-51(77)97)86-68(114)49-18-14-30-94(49)71(117)56(36(4)5)91-60(106)40(76)16-11-12-28-75)70(116)92-57(37(6)7)72(118)95-31-15-19-50(95)69(115)89-47(33-52(78)98)66(112)90-48(34-96)67(113)82-39(9)59(105)83-42(21-25-53(99)100)61(107)84-43(22-26-54(101)102)62(108)87-45(73(119)120)17-13-29-81-74(79)80/h35-50,56-58,96H,10-34,75-76H2,1-9H3,(H2,77,97)(H2,78,98)(H,82,113)(H,83,105)(H,84,107)(H,85,111)(H,86,114)(H,87,108)(H,88,109)(H,89,115)(H,90,112)(H,91,106)(H,92,116)(H,93,110)(H,99,100)(H,101,102)(H,103,104)(H,119,120)(H4,79,80,81)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,56-,57-,58-/m0/s1 InChIKey=CVEKNFQDDWFLMC-KXZQLIGBSA-N Bioactivity predicted using molecular docking |
| Database reference: |
| DFBP: ID DFBPANTH0138 |