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Atomistry » Fluorine » PDB 6x3d-6xk9 » 6xe4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 6x3d-6xk9 » 6xe4 » |
Fluorine in PDB 6xe4: Btk Fluorocyclopropyl Amide Inhibitor, Compound 25Enzymatic activity of Btk Fluorocyclopropyl Amide Inhibitor, Compound 25
All present enzymatic activity of Btk Fluorocyclopropyl Amide Inhibitor, Compound 25:
2.7.10.2; Protein crystallography data
The structure of Btk Fluorocyclopropyl Amide Inhibitor, Compound 25, PDB code: 6xe4
was solved by
J.R.Kiefer,
J.J.Crawford,
W.Lee,
C.Eigenbrot,
C.Yu,
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 Btk Fluorocyclopropyl Amide Inhibitor, Compound 25
(pdb code 6xe4). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Btk Fluorocyclopropyl Amide Inhibitor, Compound 25, PDB code: 6xe4: Jump to Fluorine binding site number: 1; 2; Fluorine binding site 1 out of 2 in 6xe4Go back to![]() ![]()
Fluorine binding site 1 out
of 2 in the Btk Fluorocyclopropyl Amide Inhibitor, Compound 25
![]() Mono view ![]() Stereo pair view
Fluorine binding site 2 out of 2 in 6xe4Go back to![]() ![]()
Fluorine binding site 2 out
of 2 in the Btk Fluorocyclopropyl Amide Inhibitor, Compound 25
![]() Mono view ![]() Stereo pair view
Reference:
J.J.Crawford,
W.Lee,
A.R.Johnson,
K.J.Delatorre,
J.Chen,
C.Eigenbrot,
J.Heidmann,
S.Kakiuchi-Kiyota,
A.Katewa,
J.R.Kiefer,
L.Liu,
J.W.Lubach,
D.Misner,
H.Purkey,
K.Reif,
J.Vogt,
H.Wong,
C.Yu,
W.B.Young.
Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett. V. 11 1588 2020.
Page generated: Tue Jul 15 17:23:09 2025
ISSN: ISSN 1948-5875 PubMed: 32832028 DOI: 10.1021/ACSMEDCHEMLETT.0C00249 |
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