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Chemical structure of H-His-Cys-Lys-Phe-Trp-Trp-OH

GA22534

H-His-Cys-Lys-Phe-Trp-Trp-OH

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

HCKFWW, potent inhibitor of the HIV-encoded integrase (IN), the enzyme responsible for the integration of HIV DNA into the human genome· HCKFWW inhibits IN-mediated 3'processing and integration with an IC?? of 2 µM· The peptide is also active on IN proteins from other retroviruses such as HIV-2, feline immunodeficiency virus and Moloney murine leukemia virus· It was also found to inhibit the disintegration reaction, suggesting that this hexapeptide acts at or near the catalytic site of IN

ChemicalCAS172546-75-7MW906.08FormulaC46H55N11O7S
CAS number
172546-75-7
Molecular weight
906.08
Formula
C46H55N11O7S
Solubility
Soluble in DMSO
InChIKey
ITHDAFCBITUNSR-CCMAZBEPSA-N
Catalogue number
GA22534
Brand
GLPBIO
Computed properties PubChem CID 9988313 · XLogP 0.2 · TPSA 296 Ų · H-bond donors 12
XLogP
0.2
TPSA
296 Ų
H-bond donors
12
H-bond acceptors
11
Rotatable bonds
24
Heavy atoms
65

SMILES C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC6=CN=CN6)N

Computed descriptors from PubChem (CID 9988313), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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