conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00922

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.

cpd00922


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
GPLGIAGQ pacitaxel derivative
Identification
ConjuPepDB ID

cpd00922

Smiles
Inchi Key

InChIKey=LDTRXOPGXBGOCU-OKNZPZJZSA-N

Molecular weight

1702.81

Molecular formula

C86H118N10O24Si

Chemical name
Peptide information
Sequence (one letter)

GPLGIAGQ

Length

8

Peptide name

octapeptide recognized and cleaved by MMP2

External ID
CAS number

1293910-29-8

Other information
Application

Antitumor therapy, MDA-MB-435 and HT1080 cells

Additional function

Targeting overexpressing MMP2, enhance efficacy

Conjugate type

ester

Linker

no

Small molecule

pacitaxel derivative

Small molecule CAS

114655-02-6

Small molecule structure

Structure method

1H- and 13C-NMR

NMR solvent

CDCl3

Calculated properties
LogP

2.12650

Rotatable bonds

41

H bond donor

10

H bond acceptor

19

Polar surface area (PSA)

483.46000

Citations
ID Title Year Authors Journal DOI

Cpdart0131

Biological evaluation of paclitaxel-peptide conjugates as a model for MMP2-targeted drug delivery

2010

Yamada, Roppei; Kostova, Maya B.; Anchoori, Ravi Kumar; Xu, Shili; Neamati, Nouri; Khan, Saeed R.

Cancer Biology & Therapy

..