conjupepdb_log

View Conjugates details

ConjuPepDB ID: cpd00901

Chemical structure


molecule
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cpd00901


Schematic Help Icon Schematic representation of peptide, linker and drug in the peptide-drug conjugates
XHVG Neomycin B derivative
Identification
ConjuPepDB ID

cpd00901

Smiles
Inchi Key

InChIKey=BEAVUULQQCJBCT-LVMNOHMYSA-N

Molecular weight

1786.9

Molecular formula

C84H130N12O30

Chemical name
Peptide information
Sequence (one letter)

XHVG

Length

4

Peptide name

tripeptide

External ID
CAS number

1232235-90-3

Other information
Application

Antimicrobial therapy, antibacterial (P. aeruginosa)

Additional function

Overcome drug resistance

Conjugate type

triazole

Linker

no

Small molecule

Neomycin B derivative

Small molecule CAS

1000022-45-6

Small molecule structure

Calculated properties
LogP

4.27998

Rotatable bonds

42

H bond donor

15

H bond acceptor

24

Polar surface area (PSA)

560.28000

Citations
ID Title Year Authors Journal DOI

Cpdart0126

Evaluation of amphiphilic aminoglycoside-peptide triazole conjugates as antibacterial agents

2010

Bera, Smritilekha; Zhanel, George G.; Schweizer, Frank

Bioorganic & Medicinal Chemistry

..