BIOPEP-UWM: Report

ID 184
Name ACE inhibitor
sequence
SPNLPKLKPD

Function:
Predicted inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 1O86)
 
Number of residues
10
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 1108.2846 Monoisotopic mass 1107.6268
EC50 :
0.00 µM



Bibliographic data:
Authors
Ding Z., Chen K., Chen Y.
Title
Research on ACEI of low‐molecular‐weight peptides from Hirudo nipponia Whitman. Molecules, 27, 5421, 2022
Year Source
2022 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CO)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=O)O)C(=O)O

InChI=1S/C50H85N13O15/c1-27(2)22-32(42(69)56-31(13-6-8-18-52)48(75)62-20-10-16-38(62)46(73)60-35(50(77)78)25-40(66)67)57-41(68)30(12-5-7-17-51)55-44(71)37-15-11-21-63(37)49(76)34(23-28(3)4)59-43(70)33(24-39(54)65)58-45(72)36-14-9-19-61(36)47(74)29(53)26-64/h27-38,64H,5-26,51-53H2,1-4H3,(H2,54,65)(H,55,71)(H,56,69)(H,57,68)(H,58,72)(H,59,70)(H,60,73)(H,66,67)(H,77,78)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1

InChIKey=RLZCGNOPKKTWPQ-YRYMBYOHSA-N


Bioactivity predicted by molecular docking



Database reference: