BIOPEP-UWM: Report

ID 9607
Name HMG-CoA reductase inhibitor
sequence
IAVPTGVA
Function:
Inhibitor of HMG-CoA reductase (EC 1.1.1.34)
 
Number of residues
8
Activity code
HMGi
Activity :
HMG-CoA reductase inhibitor
Chemical mass 726.8589 Monoisotopic mass 726.4262
IC50 :
152.00 µM


Bibliographic data:
Authors
Pak V. V., Koo M., Lee N., Lee J. S., Kasimova T. D., Kwon D. Y.
Title
Structure activity relationship of Ile-Ala-Val-Pro peptide and its derivatives by using semi-empirical AM1 method. Chem. Nat. Comp., 41, 454–460, 2005
Year Source
2005 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides

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

InChI=1S/C33H58N8O10/c1-10-17(6)23(34)29(46)36-18(7)27(44)39-25(16(4)5)32(49)41-13-11-12-21(41)28(45)40-26(20(9)42)30(47)35-14-22(43)38-24(15(2)3)31(48)37-19(8)33(50)51/h15-21,23-26,42H,10-14,34H2,1-9H3,(H,35,47)(H,36,46)(H,37,48)(H,38,43)(H,39,44)(H,40,45)(H,50,51)/t17-,18-,19-,20+,21-,23-,24-,25-,26-/m0/s1

InChIKey: HWGBHHZSKLLIDB-PQQRXNHQSA-N


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


Database reference:
BindingDB: ID 50321111

BRENDA: Ligand IAVPTGVA

ChEMBL: ID CHEMBL1163198

ChemSpider: ID 25028445

J-GLOBAL: ID 201707004717070303

Nikkaji: ID J3.595.387F

PubChem: CID 46906528

ZINC: ID ZINC000058482277