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Chlorine in PDB 7m3z: Structure of Tim-3 in Complex with N-(4-(8-Chloro-2-Mehtyl-5-Oxo-5,6- Dihydro-[1,2,4]Triazolo[1,5-C]Quinazolin-9-Yl)-3-Methylphenyl) Methanesulfonamdide (Compound 35)Protein crystallography data
The structure of Structure of Tim-3 in Complex with N-(4-(8-Chloro-2-Mehtyl-5-Oxo-5,6- Dihydro-[1,2,4]Triazolo[1,5-C]Quinazolin-9-Yl)-3-Methylphenyl) Methanesulfonamdide (Compound 35), PDB code: 7m3z
was solved by
T.A.Rietz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 7m3z:
The structure of Structure of Tim-3 in Complex with N-(4-(8-Chloro-2-Mehtyl-5-Oxo-5,6- Dihydro-[1,2,4]Triazolo[1,5-C]Quinazolin-9-Yl)-3-Methylphenyl) Methanesulfonamdide (Compound 35) also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of Tim-3 in Complex with N-(4-(8-Chloro-2-Mehtyl-5-Oxo-5,6- Dihydro-[1,2,4]Triazolo[1,5-C]Quinazolin-9-Yl)-3-Methylphenyl) Methanesulfonamdide (Compound 35)
(pdb code 7m3z). 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 Structure of Tim-3 in Complex with N-(4-(8-Chloro-2-Mehtyl-5-Oxo-5,6- Dihydro-[1,2,4]Triazolo[1,5-C]Quinazolin-9-Yl)-3-Methylphenyl) Methanesulfonamdide (Compound 35), PDB code: 7m3z: Chlorine binding site 1 out of 1 in 7m3zGo back to Chlorine Binding Sites List in 7m3z
Chlorine binding site 1 out
of 1 in the Structure of Tim-3 in Complex with N-(4-(8-Chloro-2-Mehtyl-5-Oxo-5,6- Dihydro-[1,2,4]Triazolo[1,5-C]Quinazolin-9-Yl)-3-Methylphenyl) Methanesulfonamdide (Compound 35)
Mono view Stereo pair view
Reference:
T.A.Rietz,
K.B.Teuscher,
J.J.Mills,
R.D.Gogliotti,
L.T.Lepovitz,
W.R.Scaggs,
K.Yoshida,
K.Luong,
T.Lee,
S.W.Fesik.
Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (Tim-3). J.Med.Chem. 2021.
Page generated: Fri Nov 5 12:27:58 2021
ISSN: ISSN 0022-2623 PubMed: 34597046 DOI: 10.1021/ACS.JMEDCHEM.1C01336 |
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