BIOPEP-UWM: Report

ID 310
Name ACE inhibitor
sequence
KPWIQPK

Function:
Predicted inhibitor of Angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 1O8A)
 
Number of residues
7
Activity code
ah
Activity :
ACE inhibitor
Chemical mass 896.0842 Monoisotopic mass 895.5264
EC50 :
0.00 µM



Bibliographic data:
Authors
Wang Z., Zhang M., Zhao C., Li J., Wang J., Ma C., Ma D.
Title
ACE-inhibitory peptides in sodium-reduced cheese with probiotic: Identification, in silico prediction and molecular interaction. LWT, 200, 116198, 2024
Year Source
2024 Journal



Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(CCCCN)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)O

InChI=1S/C44H69N11O9/c1-3-26(2)37(41(60)50-31(18-19-36(48)56)43(62)55-23-11-17-35(55)39(58)51-32(44(63)64)15-7-9-21-46)53-38(57)33(24-27-25-49-30-14-5-4-12-28(27)30)52-40(59)34-16-10-22-54(34)42(61)29(47)13-6-8-20-45/h4-5,12,14,25-26,29,31-35,37,49H,3,6-11,13,15-24,45-47H2,1-2H3,(H2,48,56)(H,50,60)(H,51,58)(H,52,59)(H,53,57)(H,63,64)/t26-,29-,31-,32-,33-,34-,35-,37-/m0/s1

InChIKey=FQUBEYKWOKNUMV-DMUIZNORSA-N


Bioactivity predicted by molecular docking



Database reference: