conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00804

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.

cpd00804


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
QRPAK p-Toluenesulfonamide
Identification
ConjuPepDB ID

cpd00804

Smiles
Molecular weight

976.448

Molecular formula

C47H64N10O11S

Chemical name
Peptide information
Sequence (one letter)

QRPAK

Length

5

Peptide name

pentapeptide generated by plasmin degradation from the fibrinogen beta chain

External ID
CAS number

860020-52-6

Other information
Application

Anti-thrombolytic therapy

Additional function

Free radical scavenging and thrombolitic activity, protective effect against organ injury induced by I/R in rat

Conjugate type

sulfonamide

Linker

no

Small molecule

p-Toluenesulfonamide

Small molecule CAS

70-55-3

Small molecule structure

NMR solvent

CD3OD + TFA

Calculated properties
LogP

1.43305

Rotatable bonds

27

H bond donor

9

H bond acceptor

12

Polar surface area (PSA)

323.40000

Citations
ID Title Year Authors Journal DOI

Cpdart0119

A new class of β-carboline alkaloid-peptide conjugates with therapeutic efficacy in acute limb ischemia/reperfusion injury

2011

Bi, Wei; Bi, Yue; Xue, Ping; Zhang, Yanrong; Gao, Xiang; Wang, Zhibo; Li, Meng; Baudy-Floc'h, Michele; Ngerebara, Nathaniel; Michael Gibson, K.; Bi, Lanrong

European Journal of Medicinal Chemistry

..