BIOPEP-UWM: Report

ID 9614
Name HMG-CoA reductase inhibitor
sequence
FFYVAE
Function:
Inhibitor of HMG-CoA reductase (EC 1.1.1.34)
 
Number of residues
6
Activity code
HMGi
Activity :
HMG-CoA reductase inhibitor
Chemical mass 774.8572 Monoisotopic mass 774.3576
IC50 :
2.50 µM


Bibliographic data:
Authors
Pak V. V., Koo M., Kim M. J., Yang H. J., Yun L., Kwon D. Y.
Title
Modeling an active conformation for linear peptides and design of a competitive inhibitor for HMG-CoA reductase. J. Mol. Recognit., 21, 224–232, 2008
Year Source
2008 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides

SMILES: N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)O

InChI=1S/C40H50N6O10/c1-23(2)34(39(54)42-24(3)35(50)43-30(40(55)56)18-19-33(48)49)46-38(53)32(22-27-14-16-28(47)17-15-27)45-37(52)31(21-26-12-8-5-9-13-26)44-36(51)29(41)20-25-10-6-4-7-11-25/h4-17,23-24,29-32,34,47H,18-22,41H2,1-3H3,(H,42,54)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H,48,49)(H,55,56)/t24-,29-,30-,31-,32-,34-/m0/s1 H,28,34)(H,29,40)(H,30,35)(H,31,38)(H,32,39)(H,36,37)(H,41,42)/t14-,17-,18-,22-/m0/s1

InChIKey: NQQLTZINLLJTDY-HYORAKBMSA-N


HMG-CoA reductase (EC 1.1.1.34) is involved in cholesterol biosynthesis.


Database reference: