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Chlorine in PDB 3jy0: Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors

Enzymatic activity of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors

All present enzymatic activity of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors:
2.7.11.1;

Protein crystallography data

The structure of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors, PDB code: 3jy0 was solved by V.S.Stoll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.40
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 98.286, 98.286, 80.580, 90.00, 90.00, 120.00
R / Rfree (%) 22.4 / 25.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors (pdb code 3jy0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors, PDB code: 3jy0:

Chlorine binding site 1 out of 1 in 3jy0

Go back to Chlorine Binding Sites List in 3jy0
Chlorine binding site 1 out of 1 in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1000

b:36.4
occ:1.00
CL1 A:LYG1000 0.0 36.4 1.0
C9 A:LYG1000 1.7 29.5 1.0
C10 A:LYG1000 2.6 24.4 1.0
C8 A:LYG1000 2.7 24.3 1.0
CD2 A:LEU44 3.7 32.4 1.0
C7 A:LYG1000 3.9 21.9 1.0
C11 A:LYG1000 3.9 21.8 1.0
CD A:ARG122 4.0 31.9 1.0
CG A:ARG122 4.0 30.3 1.0
CD1 A:LEU174 4.3 23.9 1.0
CG1 A:VAL126 4.3 22.0 1.0
C12 A:LYG1000 4.3 20.0 1.0
CG A:LEU44 4.3 36.7 1.0
CB A:ARG122 4.8 30.2 1.0
CB A:ALA65 4.8 26.4 1.0
CG2 A:VAL126 4.9 24.1 1.0

Reference:

Z.F.Tao, L.Hasvold, J.Leverson, E.Han, R.Guan, E.F.Johson, V.S.Stoll, K.D.Stewart, G.Stamper, N.Soni. Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors To Be Published.
Page generated: Fri Jul 11 06:46:51 2025

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