conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00950

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.

cpd00950


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
RKGRS 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide
Identification
ConjuPepDB ID

cpd00950

Smiles
Inchi Key

InChIKey=CNVCRSVENHBZRX-IYHZCDIESA-N

Molecular weight

1244.63

Molecular formula

C58H92N12O14S2

Chemical name
Peptide information
Sequence (one letter)

RKGRS

Length

5

Peptide name

Glu-AQ

External ID
CAS number

1239603-90-7

Other information
Application

Synthesis and DNA nuclease activity

Additional function

DNA cleavage, metal-free

Conjugate type

sulfonamide

Linker

no

Small molecule

2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide

Small molecule CAS

378230-81-0

Small molecule structure

Calculated properties
LogP

4.15195

Rotatable bonds

20

H bond donor

10

H bond acceptor

17

Polar surface area (PSA)

380.62000

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

..