conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00438

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.

cpd00438


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
VTPVSTA butane ‘linker-only’ uridine diphosphate (UDP) analogue
Identification
ConjuPepDB ID

cpd00438

Smiles
Inchi Key

InChIKey=IDXHDIFQMJBIJG-UCWPZRLRSA-N

Molecular weight

1172.44

Molecular formula

C44H74N10O23P2

Chemical name
Peptide information
Sequence (one letter)

VTPVSTA

Length

7

Peptide name

O-GlcNAc transferase fragment

External ID
CAS number

1807977-99-6

Other information
Application

Synthesis, inhibition of glycosyltransfer (O-GlcNAc transferase)

Additional function

Possible tool for studying OGT function in vivo

Pharmacological class

other

Conjugate type

ether

Linker

N/A

Linker Type

butane

Small molecule

‘linker-only’ uridine diphosphate (UDP) analogue

Small molecule CAS

1807978-00-2

Small molecule structure

Calculated properties
LogP

-6.57957

Rotatable bonds

31

H bond donor

14

H bond acceptor

20

Polar surface area (PSA)

489.08000

Citations
ID Title Year Authors Journal DOI

Cpdart0075

Bisubstrate UDP-peptide conjugates as human O-GlcNAc transferase inhibitors

2014

Borodkin, Vladimir S.; Schimpl, Marianne; Gundogdu, Mehmet; Rafie, Karim; Dorfmueller, Helge C.; Robinson, David A.; van Aalten, Daan M. F.

Biochemical Journal

..