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Chlorine in PDB 8fiu: Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold
Protein crystallography data
The structure of Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold, PDB code: 8fiu
was solved by
R.T.Nolte,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 35.18 / 1.56 |
| Space group | P 6 |
| Cell size a, b, c (Å), α, β, γ (°) | 156.197, 156.197, 56.224, 90, 90, 120 |
| R / Rfree (%) | 16.1 / 19.4 |
Other elements in 8fiu:
The structure of Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold also contains other interesting chemical elements:
| Fluorine | (F) | 18 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold
(pdb code 8fiu). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold, PDB code: 8fiu:
Jump to Chlorine binding site number: 1; 2; 3;
In total 3 binding sites of Chlorine where determined in the Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold, PDB code: 8fiu:
Jump to Chlorine binding site number: 1; 2; 3;
Chlorine binding site 1 out of 3 in 8fiu
Go back to
Chlorine Binding Sites List in 8fiu
Chlorine binding site 1 out
of 3 in the Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold
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 Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold within 5.0Å range:
|
Chlorine binding site 2 out of 3 in 8fiu
Go back to
Chlorine Binding Sites List in 8fiu
Chlorine binding site 2 out
of 3 in the Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold
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 2 of Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold within 5.0Å range:
|
Chlorine binding site 3 out of 3 in 8fiu
Go back to
Chlorine Binding Sites List in 8fiu
Chlorine binding site 3 out
of 3 in the Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold
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 3 of Potent Long-Acting Inhibitors Targeting Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold within 5.0Å range:
|
Reference:
E.P.Gillis,
K.Parcella,
M.Bowsher,
J.H.Cook,
C.Iwuagwu,
B.N.Naidu,
M.Patel,
K.Peese,
H.Huang,
L.Valera,
C.Wang,
K.Kieltyka,
D.D.Parker,
J.Simmermacher,
E.Arnoult,
R.T.Nolte,
L.Wang,
J.A.Bender,
D.B.Frennesson,
M.Saulnier,
A.X.Wang,
N.A.Meanwell,
M.Belema,
U.Hanumegowda,
S.Jenkins,
M.Krystal,
J.F.Kadow,
M.Cockett,
R.Fridell.
Potent Long-Acting Inhibitors Targeting the Hiv-1 Capsid Based on A Versatile Quinazolin-4-One Scaffold. J.Med.Chem. V. 66 1941 2023.
ISSN: ISSN 0022-2623
PubMed: 36719971
DOI: 10.1021/ACS.JMEDCHEM.2C01732
Page generated: Tue Jul 30 09:34:49 2024
ISSN: ISSN 0022-2623
PubMed: 36719971
DOI: 10.1021/ACS.JMEDCHEM.2C01732
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