BIOPEP-UWM: Report
| ID | 150 |
| Name | ACE inhibitor |
| sequence |
| Function: | |||
| Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 1O86) | |||
| Number of residues | 7 |
Activity code | ah |
| Activity : | ACE inhibitor |
|||
| Chemical mass | 744.8791 | Monoisotopic mass | 744.4270 | |
| EC50 : | 0.00 µM |
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| Bibliographic data: | |
| Authors | |
| Wenhui T., Shumin H., Yongliang Z., Liping S., Hua Y. | |
| Title | |
| Identification of in vitro angiotensin-converting enzyme and dipeptidyl peptidase IV inhibitory peptides from draft beer by virtual screening and molecular docking. J. Sci. Food Agric., 102, 1085-1094, 2022 | |
| Year | Source |
| 2022 | Journal |
| Additional information: |
| BIOPEP-UWM Virtual database SMILES: N[C@@H](CC1=CC=C(C=C1))C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C(C)C)C(=O)NCC(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)O InChI=1S/C35H56N10O8/c1-20(2)16-25(34(52)53)43-28(47)18-40-30(48)24(12-8-14-39-35(37)38)42-27(46)19-41-32(50)29(21(3)4)44-31(49)26-13-9-15-45(26)33(51)23(36)17-22-10-6-5-7-11-22/h5-7,10-11,20-21,23-26,29H,8-9,12-19,36H2,1-4H3,(H,40,48)(H,41,50)(H,42,46)(H,43,47)(H,44,49)(H,52,53)(H4,37,38,39)/t23-,24-,25-,26-,29-/m0/s1 InChIKey=PDQYQZYTPKBDKM-YIHYGEMESA-N Bioactivity predicted by molecular docking Predicted inhibitor of Dipeptidyl peptidase IV (EC 3.4.14.5) (MEROPS ID: S09.003) (PDB ID: 5I7U) according to the BIOPEP-UWM Virtual database |
| Database reference: |
| BIOPEP-UWM Virtual database: ID |