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Chlorine in PDB 4jik: X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain
Enzymatic activity of X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain
All present enzymatic activity of X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain:
2.7.11.1;
2.7.11.1;
Protein crystallography data
The structure of X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain, PDB code: 4jik
was solved by
T.O.Fischmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 1.90 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 45.110, 65.900, 54.760, 90.00, 102.74, 90.00 |
| R / Rfree (%) | 21.1 / 23.7 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain
(pdb code 4jik). 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 X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain, PDB code: 4jik:
In total only one binding site of Chlorine was determined in the X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain, PDB code: 4jik:
Chlorine binding site 1 out of 1 in 4jik
Go back to
Chlorine Binding Sites List in 4jik
Chlorine binding site 1 out
of 1 in the X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of X-Ray Crystal Structure of Compound 22A (R)-2-(4-Chlorophenyl)-8- (Piperidin-3-Ylamino)Imidazo[1,2-C]Pyrimidine-5-Carboxamide Bound to Human CHK1 Kinase Domain within 5.0Å range:
|
Reference:
Z.Meng,
J.P.Ciavarri,
A.Mcriner,
Y.Zhao,
L.Zhao,
P.A.Reddy,
X.Zhang,
T.O.Fischmann,
C.Whitehurst,
M.Arshad Siddiqui.
Potency Switch Between CHK1 and MK2: Discovery of Imidazo[1,2-A]Pyrazine- and Imidazo[1,2-C]Pyrimidine-Based Kinase Inhibitors. Bioorg.Med.Chem.Lett. V. 23 2863 2013.
ISSN: ISSN 0960-894X
PubMed: 23587425
DOI: 10.1016/J.BMCL.2013.03.100
Page generated: Sun Jul 21 17:28:08 2024
ISSN: ISSN 0960-894X
PubMed: 23587425
DOI: 10.1016/J.BMCL.2013.03.100
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