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Atomistry » Fluorine » PDB 3hky-3ig6 » 3i81 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 3hky-3ig6 » 3i81 » |
Fluorine in PDB 3i81: Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with Bms-754807 [1-(4-((5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino) Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl)-N-(6-Fluoro-3-Pyridinyl)-2-Methyl- L-Prolinamide]Enzymatic activity of Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with Bms-754807 [1-(4-((5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino) Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl)-N-(6-Fluoro-3-Pyridinyl)-2-Methyl- L-Prolinamide]
All present enzymatic activity of Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with Bms-754807 [1-(4-((5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino) Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl)-N-(6-Fluoro-3-Pyridinyl)-2-Methyl- L-Prolinamide]:
2.7.1.112; Protein crystallography data
The structure of Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with Bms-754807 [1-(4-((5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino) Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl)-N-(6-Fluoro-3-Pyridinyl)-2-Methyl- L-Prolinamide], PDB code: 3i81
was solved by
J.S.Sack,
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 Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with Bms-754807 [1-(4-((5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino) Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl)-N-(6-Fluoro-3-Pyridinyl)-2-Methyl- L-Prolinamide]
(pdb code 3i81). 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 Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with Bms-754807 [1-(4-((5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino) Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl)-N-(6-Fluoro-3-Pyridinyl)-2-Methyl- L-Prolinamide], PDB code: 3i81: Fluorine binding site 1 out of 1 in 3i81Go back to![]() ![]()
Fluorine binding site 1 out
of 1 in the Crystal Structure of Insulin-Like Growth Factor 1 Receptor (Igf-1R-Wt) Complex with Bms-754807 [1-(4-((5-Cyclopropyl-1H-Pyrazol-3-Yl)Amino) Pyrrolo[2,1-F][1,2,4]Triazin-2-Yl)-N-(6-Fluoro-3-Pyridinyl)-2-Methyl- L-Prolinamide]
![]() Mono view ![]() Stereo pair view
Reference:
M.D.Wittman,
J.M.Carboni,
Z.Yang,
F.Y.Lee,
M.Antman,
R.Attar,
P.Balimane,
C.Chang,
C.Chen,
L.Discenza,
D.Frennesson,
M.M.Gottardis,
A.Greer,
W.Hurlburt,
W.Johnson,
D.R.Langley,
A.Li,
J.Li,
P.Liu,
H.Mastalerz,
A.Mathur,
K.Menard,
K.Patel,
J.Sack,
X.Sang,
M.Saulnier,
D.Smith,
K.Stefanski,
G.Trainor,
U.Velaparthi,
G.Zhang,
K.Zimmermann,
D.M.Vyas.
Discovery of A 2,4-Disubstituted Pyrrolo[1,2-F][1,2,4]Triazine Inhibitor (Bms-754807) of Insulin-Like Growth Factor Receptor (Igf-1R) Kinase in Clinical Development. J.Med.Chem. V. 52 7360 2009.
Page generated: Mon Jul 14 16:58:31 2025
ISSN: ISSN 0022-2623 PubMed: 19778024 DOI: 10.1021/JM900786R |
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