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Fluorine in PDB 8j63: The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-CarboxamideEnzymatic activity of The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide
All present enzymatic activity of The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide:
2.7.10.1; Protein crystallography data
The structure of The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide, PDB code: 8j63
was solved by
Z.M.Zhang,
Y.J.Wang,
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 The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide
(pdb code 8j63). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide, PDB code: 8j63: Jump to Fluorine binding site number: 1; 2; 3; Fluorine binding site 1 out of 3 in 8j63Go back to Fluorine Binding Sites List in 8j63
Fluorine binding site 1 out
of 3 in the The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide
Mono view Stereo pair view
Fluorine binding site 2 out of 3 in 8j63Go back to Fluorine Binding Sites List in 8j63
Fluorine binding site 2 out
of 3 in the The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide
Mono view Stereo pair view
Fluorine binding site 3 out of 3 in 8j63Go back to Fluorine Binding Sites List in 8j63
Fluorine binding site 3 out
of 3 in the The Crystal Structure of Trka Kinase in Complex with 4^6-Methyl-N-(3- (4-Methyl-1H-Imidazol-1-Yl)-5-(Trifluoromethyl)Phenyl)-11-Oxo-5-Oxa- 10,14-Diaza-1(3,6)-Imidazo[1,2-B]Pyridazina-4(1,3)- Benzenacyclotetradecaphan-2-Yne-4^5-Carboxamide
Mono view Stereo pair view
Reference:
Z.Wang,
J.Wang,
Y.Wang,
S.Xiang,
H.Zhou,
S.Song,
X.Song,
Z.Tu,
Y.Zhou,
K.Ding,
Z.M.Zhang,
Z.Zhang,
X.Lu.
Structure-Based Optimization of the Third Generation Type II Macrocycle Trk Inhibitors with Improved Activity Against Solvent-Front, Xdfg, and Gatekeeper Mutations. J.Med.Chem. 2023.
Page generated: Fri Aug 2 20:53:30 2024
ISSN: ISSN 0022-2623 PubMed: 37676745 DOI: 10.1021/ACS.JMEDCHEM.3C00899 |
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