BIOPEP-UWM: Report

ID 9617
Name HMG-CoA reductase inhibitor
sequence
FWYVAE
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 813.8932 Monoisotopic mass 813.3685
IC50 :
29.50 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](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=C[N]([H])C3=CC=CC=C23)C(=O)N[C@@H](CC4=CC=C(C=C4)O)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/C42H51N7O10/c1-23(2)36(41(57)45-24(3)37(53)46-32(42(58)59)17-18-35(51)52)49-40(56)33(20-26-13-15-28(50)16-14-26)48-39(55)34(21-27-22-44-31-12-8-7-11-29(27)31)47-38(54)30(43)19-25-9-5-4-6-10-25/h4-16,22-24,30,32-34,36,44,50H,17-21,43H2,1-3H3,(H,45,57)(H,46,53)(H,47,54)(H,48,55)(H,49,56)(H,51,52)(H,58,59)/t24-,30-,32-,33-,34-,36-/m0/s1

InChIKey: XTXVVMQTWJDFCR-UXWOWANTSA-N


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


Database reference: