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ConjuPepDB ID: cpd00949

Chemical structure


molecule
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cpd00949


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

cpd00949

Smiles
Inchi Key

InChIKey=PGGVHSVHLMAPTD-QRIZJJBVSA-N

Molecular weight

1144.58

Molecular formula

C53H84N12O12S2

Chemical name
Peptide information
Sequence (one letter)

RKGRS

Length

5

Peptide name

Glu-AQ

External ID
CAS number

1239603-91-8

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

1.94019

Rotatable bonds

17

H bond donor

10

H bond acceptor

17

Polar surface area (PSA)

368.31000

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

..