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Atomistry » Fluorine » PDB 4zga-4zzi » 4zpe » |
Fluorine in PDB 4zpe: BACE1 in Complex with 4-(Cyclohexylamino)-1-(3-Fluorophenyl)-8-(3- Isopropoxybenzyl)-1,3,8-Triazaspiro[4.5]Dec-3-En-2-OneEnzymatic activity of BACE1 in Complex with 4-(Cyclohexylamino)-1-(3-Fluorophenyl)-8-(3- Isopropoxybenzyl)-1,3,8-Triazaspiro[4.5]Dec-3-En-2-One
All present enzymatic activity of BACE1 in Complex with 4-(Cyclohexylamino)-1-(3-Fluorophenyl)-8-(3- Isopropoxybenzyl)-1,3,8-Triazaspiro[4.5]Dec-3-En-2-One:
3.4.23.46; Protein crystallography data
The structure of BACE1 in Complex with 4-(Cyclohexylamino)-1-(3-Fluorophenyl)-8-(3- Isopropoxybenzyl)-1,3,8-Triazaspiro[4.5]Dec-3-En-2-One, PDB code: 4zpe
was solved by
P.Orth,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the BACE1 in Complex with 4-(Cyclohexylamino)-1-(3-Fluorophenyl)-8-(3- Isopropoxybenzyl)-1,3,8-Triazaspiro[4.5]Dec-3-En-2-One
(pdb code 4zpe). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the BACE1 in Complex with 4-(Cyclohexylamino)-1-(3-Fluorophenyl)-8-(3- Isopropoxybenzyl)-1,3,8-Triazaspiro[4.5]Dec-3-En-2-One, PDB code: 4zpe: Fluorine binding site 1 out of 1 in 4zpeGo back to Fluorine Binding Sites List in 4zpe
Fluorine binding site 1 out
of 1 in the BACE1 in Complex with 4-(Cyclohexylamino)-1-(3-Fluorophenyl)-8-(3- Isopropoxybenzyl)-1,3,8-Triazaspiro[4.5]Dec-3-En-2-One
Mono view Stereo pair view
Reference:
M.Egbertson,
G.B.Mcgaughey,
S.M.Pitzenberger,
S.R.Stauffer,
C.A.Coburn,
S.J.Stachel,
W.Yang,
J.C.Barrow,
L.A.Neilson,
M.Mcwherter,
D.Perlow,
B.Fahr,
S.Munshi,
T.J.Allison,
K.Holloway,
H.G.Selnick,
Z.Yang,
J.Swestock,
A.J.Simon,
S.Sankaranarayanan,
D.Colussi,
K.Tugusheva,
M.T.Lai,
B.Pietrak,
S.Haugabook,
L.Jin,
I.W.Chen,
M.Holahan,
M.Stranieri-Michener,
J.J.Cook,
J.Vacca,
S.L.Graham.
Methyl-Substitution of An Iminohydantoin Spiropiperidine Beta-Secretase (Bace-1) Inhibitor Has A Profound Effect on Its Potency. Bioorg.Med.Chem.Lett. V. 25 4812 2015.
Page generated: Sun Dec 13 12:17:16 2020
ISSN: ESSN 1464-3405 PubMed: 26195137 DOI: 10.1016/J.BMCL.2015.06.082 |
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