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Atomistry » Chlorine » PDB 5ei4-5erm » 5em5 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 5ei4-5erm » 5em5 » |
Chlorine in PDB 5em5: Egfr Kinase Domain Mutant "Tmlr" with Pyridone Compound 2: 4-[2-(4- Chlorophenyl)Ethylamino]-~{N}-[4-(4-Methylpiperazin-1-Yl)Phenyl]-2- Oxidanylidene-1~{H}-Pyridine-3-CarboxamideEnzymatic activity of Egfr Kinase Domain Mutant "Tmlr" with Pyridone Compound 2: 4-[2-(4- Chlorophenyl)Ethylamino]-~{N}-[4-(4-Methylpiperazin-1-Yl)Phenyl]-2- Oxidanylidene-1~{H}-Pyridine-3-Carboxamide
All present enzymatic activity of Egfr Kinase Domain Mutant "Tmlr" with Pyridone Compound 2: 4-[2-(4- Chlorophenyl)Ethylamino]-~{N}-[4-(4-Methylpiperazin-1-Yl)Phenyl]-2- Oxidanylidene-1~{H}-Pyridine-3-Carboxamide:
2.7.10.1; Protein crystallography data
The structure of Egfr Kinase Domain Mutant "Tmlr" with Pyridone Compound 2: 4-[2-(4- Chlorophenyl)Ethylamino]-~{N}-[4-(4-Methylpiperazin-1-Yl)Phenyl]-2- Oxidanylidene-1~{H}-Pyridine-3-Carboxamide, PDB code: 5em5
was solved by
C.Eigenbrot,
C.Yu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Egfr Kinase Domain Mutant "Tmlr" with Pyridone Compound 2: 4-[2-(4- Chlorophenyl)Ethylamino]-~{N}-[4-(4-Methylpiperazin-1-Yl)Phenyl]-2- Oxidanylidene-1~{H}-Pyridine-3-Carboxamide
(pdb code 5em5). 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 Egfr Kinase Domain Mutant "Tmlr" with Pyridone Compound 2: 4-[2-(4- Chlorophenyl)Ethylamino]-~{N}-[4-(4-Methylpiperazin-1-Yl)Phenyl]-2- Oxidanylidene-1~{H}-Pyridine-3-Carboxamide, PDB code: 5em5: Chlorine binding site 1 out of 1 in 5em5Go back to Chlorine Binding Sites List in 5em5
Chlorine binding site 1 out
of 1 in the Egfr Kinase Domain Mutant "Tmlr" with Pyridone Compound 2: 4-[2-(4- Chlorophenyl)Ethylamino]-~{N}-[4-(4-Methylpiperazin-1-Yl)Phenyl]-2- Oxidanylidene-1~{H}-Pyridine-3-Carboxamide
Mono view Stereo pair view
Reference:
M.C.Bryan,
D.J.Burdick,
B.K.Chan,
Y.Chen,
S.Clausen,
J.Dotson,
C.Eigenbrot,
R.Elliott,
E.J.Hanan,
R.Heald,
P.Jackson,
H.La,
M.Lainchbury,
S.Malek,
S.E.Mann,
H.E.Purkey,
G.Schaefer,
S.Schmidt,
E.Seward,
S.Sideris,
S.Wang,
I.Yen,
C.Yu,
T.P.Heffron.
Pyridones As Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of Egfr. Acs Med.Chem.Lett. V. 7 100 2016.
Page generated: Sat Dec 12 11:41:36 2020
ISSN: ISSN 1948-5875 PubMed: 26819674 DOI: 10.1021/ACSMEDCHEMLETT.5B00428 |
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