conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00586

Chemical structure


molecule
3D viewer Help Icon Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.

3D model is for representation purpose only.

cpd00586


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

cpd00586

Smiles
Inchi Key

InChIKey=IEMMBIGKRZKICU-HMNSIFKTSA-N

Molecular weight

2295.33

Molecular formula

C120H182N16O28

Chemical name
Peptide information
Sequence (one letter)

EVNXVAEFXXXXXD

Length

14

Peptide name

inhibitor peptide

External ID
CAS number

1408065-71-3

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

1.63430

Rotatable bonds

78

H bond donor

19

H bond acceptor

28

Polar surface area (PSA)

667.01000

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

..