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View Conjugates details

ConjuPepDB ID: cpd00451

Chemical structure


molecule
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cpd00451


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XNNYTSLIHSLIEESQNQQEKNEQELL 3-aminopropionic acid 2-(carboxymethoxy)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-benzoic acid
Identification
ConjuPepDB ID

cpd00451

Smiles
Inchi Key

InChIKey=VGQHXMWWOPQWTH-XDVZRROQSA-N

Molecular weight

3441.63

Molecular formula

C149H228N40O54

Chemical name
Peptide information
Sequence (one letter)

XNNYTSLIHSLIEESQNQQEKNEQELL

Length

27

Peptide name

peptide 26

External ID
CAS number

1427469-83-7

Other information
Application

Antimicrobial, antiviral (HIV-1)

Additional function

Improve effect and stability

Pharmacological class

antimicrobial, antiviral

Conjugate type

amide

Linker

N/A

Linker Type

3-aminopropionic acid

Small molecule

2-(carboxymethoxy)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-benzoic acid

Small molecule CAS

1427469-77-9

Small molecule structure

Structure method

DMSO-d6

Calculated properties
LogP

-24.35033

Rotatable bonds

119

H bond donor

49

H bond acceptor

56

Polar surface area (PSA)

1567.32000

Citations
ID Title Year Authors Journal DOI

Cpdart0078

Design, Synthesis, and Biological Evaluation of Highly Potent Small Molecule-Peptide Conjugates as New HIV-1 Fusion Inhibitors

2013

Wang, Chao; Shi, Weiguo; Cai, Lifeng; Lu, Lu; Wang, Qian; Zhang, Tianhong; Li, Jinglai; Zhang, Zhenqing; Wang, Kun; Xu, Liang; Jiang, Xifeng; Jiang, Shibo; Liu, Keliang

Journal of Medicinal Chemistry

..