conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd01589

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.

cpd01589


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
GGGF 4-Carboxybenzenesulfonamide
Identification
ConjuPepDB ID

cpd01589

Smiles
Molecular weight

553.103

Molecular formula

C22H24ClN5O8S

Chemical name
Peptide information
Sequence (one letter)

GGGF

Length

4

Peptide name

tetrapeptide

External ID
CAS number

176171-19-0

Other information
Application

Synthesis

Additional function

Using conjugates as probes for secondary binding sites in carbonic anhydrase

Pharmacological class

other

Conjugate type

amide

Linker

no

Small molecule

4-Carboxybenzenesulfonamide

Small molecule CAS

138-41-0

Small molecule structure

Structure method

NMR and HMRS

Calculated properties
LogP

-1.35514

Rotatable bonds

12

H bond donor

6

H bond acceptor

8

Polar surface area (PSA)

213.86000

Citations
ID Title Year Authors Journal DOI

cpdart0246

Benzenesulfonamide-peptide conjugates as probes for secondary binding sites near the active site of carbonic anhydrase

1996

Sigal, George B.; Whitesides, George M.

Bioorganic & Medicinal Chemistry Letters

..