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Atomistry » Fluorine » PDB 8bxo-8czv » 8cij » |
Fluorine in PDB 8cij: Crystal Structure of Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-OneEnzymatic activity of Crystal Structure of Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-One
All present enzymatic activity of Crystal Structure of Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-One:
2.7.11.1; Protein crystallography data
The structure of Crystal Structure of Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-One, PDB code: 8cij
was solved by
D.Musil,
M.Toure,
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 Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-One
(pdb code 8cij). 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 Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-One, PDB code: 8cij: Fluorine binding site 1 out of 1 in 8cijGo back to Fluorine Binding Sites List in 8cij
Fluorine binding site 1 out
of 1 in the Crystal Structure of Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-One
Mono view Stereo pair view
Reference:
M.Toure,
T.Johnson,
B.Li,
R.Schmidt,
H.Ma,
C.Neagu,
A.U.Lopez,
Y.Wang,
S.Guler,
Y.Xiao,
R.Henkes,
K.Ho,
S.Zhang,
C.L.Chu,
U.M.Gundra,
F.Porichis,
L.Li,
C.K.Maurer,
Z.Fang,
D.Musil,
M.Dipoto,
E.Friis,
R.Jones,
C.Jones,
J.Cummings,
E.Chekler,
E.M.Tanzer,
B.Huck,
B.Sherer.
Discovery of Quinazoline HPK1 Inhibitors with High Cellular Potency. Bioorg.Med.Chem. V. 92 17423 2023.
Page generated: Thu Dec 28 04:22:46 2023
ISSN: ESSN 1464-3391 PubMed: 37531921 DOI: 10.1016/J.BMC.2023.117423 |
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