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Atomistry » Chlorine » PDB 4wk3-4ws1 » 4wke » |
Chlorine in PDB 4wke: Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10)Enzymatic activity of Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10)
All present enzymatic activity of Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10):
3.4.24.82; Protein crystallography data
The structure of Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10), PDB code: 4wke
was solved by
J.D.Durbin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4wke:
The structure of Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10) also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10)
(pdb code 4wke). 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 Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10), PDB code: 4wke: Chlorine binding site 1 out of 1 in 4wkeGo back to![]() ![]()
Chlorine binding site 1 out
of 1 in the Crystal Structure of Human Adamts-4 in Complex with Inhibitor 5- Chloro-N-{[(4R)-2,5-Dioxo-4-(1,3-Thiazol-2-Yl)Imidazolidin-4- Yl]Methyl}-1-Benzofuran-2-Carboxamide (Compound 10)
![]() Mono view ![]() Stereo pair view
Reference:
T.B.Durham,
V.J.Klimkowski,
C.J.Rito,
J.Marimuthu,
J.L.Toth,
C.Liu,
J.D.Durbin,
S.L.Stout,
L.Adams,
C.Swearingen,
C.Lin,
M.G.Chambers,
K.Thirunavukkarasu,
M.R.Wiley.
Identification of Potent and Selective Hydantoin Inhibitors of Aggrecanase-1 and Aggrecanase-2 That Are Efficacious in Both Chemical and Surgical Models of Osteoarthritis. J.Med.Chem. 2014.
Page generated: Sat Dec 12 11:18:12 2020
ISSN: ISSN 0022-2623 PubMed: 25415648 DOI: 10.1021/JM501522N |
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