conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00937

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.

cpd00937


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
RKGRS 2-Anthraquinonecarboxylic acid
Identification
ConjuPepDB ID

cpd00937

Smiles
Inchi Key

InChIKey=CRLYEQKVSSXICN-LJWNLINESA-N

Molecular weight

818.382

Molecular formula

C38H50N12O9

Chemical name
Peptide information
Sequence (one letter)

RKGRS

Length

5

Peptide name

Glu-AQ

External ID
CAS number

1239603-88-3

Other information
Application

Synthesis and DNA nuclease activity

Additional function

DNA cleavage, metal-free

Conjugate type

amide

Linker

no

Small molecule

2-Anthraquinonecarboxylic acid

Small molecule CAS

117-78-2

Small molecule structure

Calculated properties
LogP

-4.93173

Rotatable bonds

15

H bond donor

11

H bond acceptor

15

Polar surface area (PSA)

357.77000

Citations
ID Title Year Authors Journal DOI

Cpdart0136

A Metal-Free DNA Nuclease Based on a Cyclic Peptide Scaffold

2010

Alkhader, Shadad; Ezra, Aviva; Kasparkova, Jana; Brabec, Viktor; Yavin, Eylon

Bioconjugate Chemistry

..