conjupepdb_log

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ConjuPepDB ID: cpd00589

Chemical structure


molecule
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cpd00589


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
EVNXVAEFXXXD PEG Cholestanol
Identification
ConjuPepDB ID

cpd00589

Smiles
Inchi Key

InChIKey=BYMSDGYXDBFNGL-NINAXFMCSA-N

Molecular weight

2101.27

Molecular formula

C104H176N14O30

Chemical name
Peptide information
Sequence (one letter)

EVNXVAEFXXXD

Length

12

Peptide name

inhibitor peptide

External ID
CAS number

1408065-68-8

Other information
Application

Neurodegenerative, Azheimer's disease, BACE1 inhibition

Additional function

Membrane targeting via a spacer with a raftophilic membrane anchor

Conjugate type

amide

Linker

N/A

Linker Type

PEG

Small molecule

Cholestanol

Small molecule CAS

80-97-7

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

CDCl3

Calculated properties
LogP

-1.75874

Rotatable bonds

81

H bond donor

17

H bond acceptor

30

Polar surface area (PSA)

645.73000

Citations
ID Title Year Authors Journal DOI

Cpdart0094

Optimization of BACE1 inhibition of tripartite structures by modification of membrane anchors, spacers and pharmacophores - development of potential agents for the treatment of Alzheimer's disease

2012

Linning, Philipp; Haussmann, Ute; Beyer, Isaak; Weidlich, Sebastian; Schieb, Heinke; Wiltfang, Jens; Klafki, Hans-Wolfgang; Knoelker, Hans-Joachim

Organic & Biomolecular Chemistry

..