Atomistry » Fluorine » PDB 3qrj-3rgf » 3r2f
Atomistry »
  Fluorine »
    PDB 3qrj-3rgf »
      3r2f »

Fluorine in PDB 3r2f: Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide

Enzymatic activity of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide

All present enzymatic activity of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide:
3.4.23.46;

Protein crystallography data

The structure of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide, PDB code: 3r2f was solved by J.K.Muckelbauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.53
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.306, 130.255, 86.927, 90.00, 96.53, 90.00
R / Rfree (%) 28 / 33

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide (pdb code 3r2f). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide, PDB code: 3r2f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 1 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F394

b:21.0
occ:1.00
 F46 A:PB0394 0.0 21.0 1.0
C11 A:PB0394 1.3 19.0 1.0
C8 A:PB0394 2.3 18.9 1.0
C6 A:PB0394 2.4 20.8 1.0
O A:HOH418 2.7 2.8 1.0
O A:GLN73 2.9 28.1 1.0
CD1 A:PHE108 3.4 21.9 1.0
C12 A:PB0394 3.6 20.4 1.0
C10 A:PB0394 3.6 18.4 1.0
CA A:GLY74 3.7 26.7 1.0
O A:LYS107 3.7 28.2 1.0
CA A:PHE108 3.7 24.6 1.0
C A:GLN73 4.0 28.1 1.0
CD2 A:TYR71 4.0 20.9 1.0
C7 A:PB0394 4.1 17.8 1.0
CB A:TYR71 4.2 22.5 1.0
C A:GLY74 4.2 26.2 1.0
O A:PHE108 4.2 24.1 1.0
CE1 A:PHE108 4.2 22.1 1.0
CG A:TYR71 4.3 21.2 1.0
C18 A:PB0394 4.3 18.5 1.0
CB A:PHE108 4.3 24.4 1.0
N A:GLY74 4.3 27.4 1.0
CG A:PHE108 4.3 23.2 1.0
O A:GLY74 4.5 25.9 1.0
C A:PHE108 4.5 23.9 1.0
C A:LYS107 4.5 27.7 1.0
N A:PHE108 4.6 26.3 1.0
F47 A:PB0394 4.7 20.9 1.0
N A:LYS75 4.8 25.9 1.0
CE2 A:TYR71 4.8 20.7 1.0
O43 A:PB0394 4.9 16.7 1.0
C28 A:PB0394 4.9 18.4 1.0

Fluorine binding site 2 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 2 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F394

b:20.9
occ:1.00
 F47 A:PB0394 0.0 20.9 1.0
C12 A:PB0394 1.3 20.4 1.0
C8 A:PB0394 2.4 18.9 1.0
C7 A:PB0394 2.4 17.8 1.0
CZ2 A:TRP115 3.3 16.2 1.0
CD1 A:ILE110 3.3 24.8 1.0
C25 A:PB0394 3.4 18.2 1.0
C26 A:PB0394 3.5 15.1 1.0
C29 A:PB0394 3.5 19.5 1.0
CH2 A:TRP115 3.6 16.7 1.0
C11 A:PB0394 3.6 19.0 1.0
C10 A:PB0394 3.7 18.4 1.0
C35 A:PB0394 3.7 18.8 1.0
CD2 A:LEU30 3.8 15.0 1.0
O A:PHE108 4.1 24.1 1.0
C6 A:PB0394 4.1 20.8 1.0
C16 A:PB0394 4.2 17.4 1.0
CG1 A:ILE110 4.3 24.5 1.0
CE2 A:TRP115 4.4 15.8 1.0
C18 A:PB0394 4.6 18.5 1.0
C22 A:PB0394 4.6 18.9 1.0
F46 A:PB0394 4.7 21.0 1.0
CZ3 A:TRP115 4.9 16.5 1.0
C28 A:PB0394 4.9 18.4 1.0
CD1 A:LEU30 4.9 13.9 1.0
CG A:LEU30 5.0 14.6 1.0

Fluorine binding site 3 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 3 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F394

b:21.7
occ:1.00
 F46 B:PB0394 0.0 21.7 1.0
C11 B:PB0394 1.3 18.8 1.0
C6 B:PB0394 2.3 17.7 1.0
C8 B:PB0394 2.4 18.4 1.0
O B:GLN73 2.8 28.1 1.0
CA B:GLY74 3.4 26.7 1.0
CD1 B:PHE108 3.5 22.6 1.0
C10 B:PB0394 3.6 18.5 1.0
C12 B:PB0394 3.6 17.6 1.0
C B:GLN73 3.8 28.1 1.0
O B:LYS107 3.8 28.1 1.0
CA B:PHE108 3.8 24.6 1.0
C B:GLY74 3.8 26.1 1.0
CD2 B:TYR71 3.9 20.0 1.0
CB B:TYR71 4.0 22.2 1.0
N B:GLY74 4.1 27.4 1.0
C7 B:PB0394 4.1 18.2 1.0
CG B:TYR71 4.1 20.8 1.0
O B:GLY74 4.1 25.9 1.0
CB B:PHE108 4.2 24.5 1.0
CG B:PHE108 4.3 23.2 1.0
CE1 B:PHE108 4.4 22.5 1.0
O B:PHE108 4.5 24.0 1.0
N B:LYS75 4.5 25.9 1.0
C18 B:PB0394 4.5 15.8 1.0
C B:LYS107 4.6 27.6 1.0
N B:PHE108 4.6 26.2 1.0
C B:PHE108 4.7 23.9 1.0
CE2 B:TYR71 4.7 19.7 1.0
F47 B:PB0394 4.7 18.0 1.0
O43 B:PB0394 4.8 18.7 1.0
C28 B:PB0394 4.8 18.8 1.0

Fluorine binding site 4 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 4 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F394

b:18.0
occ:1.00
 F47 B:PB0394 0.0 18.0 1.0
C12 B:PB0394 1.3 17.6 1.0
C8 B:PB0394 2.4 18.4 1.0
C7 B:PB0394 2.4 18.2 1.0
C25 B:PB0394 3.4 16.4 1.0
CZ2 B:TRP115 3.4 15.7 1.0
CH2 B:TRP115 3.6 16.5 1.0
C11 B:PB0394 3.6 18.8 1.0
CD2 B:LEU30 3.6 15.1 1.0
C10 B:PB0394 3.6 18.5 1.0
C29 B:PB0394 3.7 17.1 1.0
CD1 B:ILE110 3.8 24.5 1.0
O B:PHE108 4.0 24.0 1.0
C35 B:PB0394 4.0 17.7 1.0
C6 B:PB0394 4.1 17.7 1.0
C26 B:PB0394 4.2 16.3 1.0
C16 B:PB0394 4.3 15.9 1.0
C18 B:PB0394 4.4 15.8 1.0
CG1 B:ILE110 4.5 24.1 1.0
CE2 B:TRP115 4.6 15.6 1.0
F46 B:PB0394 4.7 21.7 1.0
C22 B:PB0394 4.7 17.6 1.0
C28 B:PB0394 4.9 18.8 1.0
CZ3 B:TRP115 4.9 16.6 1.0

Fluorine binding site 5 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 5 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F394

b:19.2
occ:1.00
 F46 D:PB0394 0.0 19.2 1.0
C11 D:PB0394 1.3 18.2 1.0
C8 D:PB0394 2.3 18.0 1.0
C6 D:PB0394 2.4 19.5 1.0
O D:GLN73 3.0 28.3 1.0
CD1 D:PHE108 3.4 22.3 1.0
C12 D:PB0394 3.6 19.8 1.0
CA D:GLY74 3.6 26.7 1.0
C10 D:PB0394 3.6 17.7 1.0
CA D:PHE108 3.8 24.6 1.0
CB D:TYR71 3.9 22.9 1.0
O D:LYS107 3.9 28.2 1.0
C D:GLY74 4.0 26.2 1.0
CD2 D:TYR71 4.0 21.8 1.0
C D:GLN73 4.0 28.1 1.0
CG D:TYR71 4.0 22.0 1.0
C7 D:PB0394 4.1 17.6 1.0
CE1 D:PHE108 4.2 22.4 1.0
O D:GLY74 4.2 26.0 1.0
CG D:PHE108 4.3 23.6 1.0
N D:GLY74 4.3 27.4 1.0
CB D:PHE108 4.3 24.4 1.0
O D:PHE108 4.4 24.2 1.0
C18 D:PB0394 4.5 18.9 1.0
N D:LYS75 4.6 25.9 1.0
C D:PHE108 4.6 24.0 1.0
N D:PHE108 4.7 26.3 1.0
F47 D:PB0394 4.7 22.1 1.0
C D:LYS107 4.7 27.6 1.0
CE2 D:TYR71 4.7 21.2 1.0
CD1 D:TYR71 4.8 20.9 1.0
C28 D:PB0394 4.9 19.2 1.0

Fluorine binding site 6 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 6 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F394

b:22.1
occ:1.00
 F47 D:PB0394 0.0 22.1 1.0
C12 D:PB0394 1.3 19.8 1.0
C7 D:PB0394 2.4 17.6 1.0
C8 D:PB0394 2.4 18.0 1.0
CZ2 D:TRP115 3.3 16.0 1.0
CD1 D:ILE110 3.3 24.4 1.0
CH2 D:TRP115 3.4 16.6 1.0
C29 D:PB0394 3.5 19.0 1.0
C11 D:PB0394 3.6 18.2 1.0
C25 D:PB0394 3.6 22.7 1.0
C10 D:PB0394 3.6 17.7 1.0
C16 D:PB0394 3.9 17.1 1.0
CD2 D:LEU30 3.9 15.6 1.0
O D:PHE108 4.0 24.2 1.0
C35 D:PB0394 4.1 19.6 1.0
C6 D:PB0394 4.1 19.5 1.0
C26 D:PB0394 4.2 19.9 1.0
CG1 D:ILE110 4.3 24.5 1.0
C22 D:PB0394 4.5 20.9 1.0
C18 D:PB0394 4.5 18.9 1.0
CE2 D:TRP115 4.6 16.1 1.0
F46 D:PB0394 4.7 19.2 1.0
CZ3 D:TRP115 4.7 16.5 1.0
C28 D:PB0394 4.9 19.2 1.0

Fluorine binding site 7 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 7 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F394

b:19.3
occ:1.00
 F46 E:PB0394 0.0 19.3 1.0
C11 E:PB0394 1.3 18.4 1.0
C6 E:PB0394 2.3 19.2 1.0
C8 E:PB0394 2.4 19.1 1.0
O E:GLN73 2.8 28.3 1.0
CA E:GLY74 3.4 26.6 1.0
CD1 E:PHE108 3.5 22.9 1.0
C10 E:PB0394 3.6 20.4 1.0
C12 E:PB0394 3.6 20.2 1.0
C E:GLN73 3.7 28.1 1.0
O E:LYS107 3.7 28.0 1.0
CD2 E:TYR71 3.8 20.6 1.0
C E:GLY74 3.8 26.2 1.0
CA E:PHE108 3.9 24.6 1.0
CB E:TYR71 4.0 22.5 1.0
N E:GLY74 4.0 27.4 1.0
C7 E:PB0394 4.1 20.4 1.0
O E:GLY74 4.1 25.9 1.0
CG E:TYR71 4.1 21.4 1.0
CE1 E:PHE108 4.2 22.5 1.0
CG E:PHE108 4.3 23.4 1.0
CB E:PHE108 4.3 24.2 1.0
N E:LYS75 4.5 25.9 1.0
O E:PHE108 4.5 24.2 1.0
C E:LYS107 4.5 27.6 1.0
CE2 E:TYR71 4.6 20.2 1.0
C18 E:PB0394 4.6 18.0 1.0
N E:PHE108 4.6 26.3 1.0
C E:PHE108 4.7 23.9 1.0
F47 E:PB0394 4.8 19.2 1.0
C28 E:PB0394 4.9 18.9 1.0

Fluorine binding site 8 out of 8 in 3r2f

Go back to Fluorine Binding Sites List in 3r2f
Fluorine binding site 8 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with Bms-693391 Aka (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1- Pyrrolidinyl)-N-((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-((2R,4R)- 4-Propoxy-2-Pyrrolidinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F394

b:19.2
occ:1.00
 F47 E:PB0394 0.0 19.2 1.0
C12 E:PB0394 1.4 20.2 1.0
C7 E:PB0394 2.4 20.4 1.0
C8 E:PB0394 2.4 19.1 1.0
CD2 E:LEU30 3.4 15.1 1.0
CH2 E:TRP115 3.4 17.1 1.0
CZ2 E:TRP115 3.4 16.8 1.0
C11 E:PB0394 3.7 18.4 1.0
C10 E:PB0394 3.7 20.4 1.0
O E:PHE108 4.0 24.2 1.0
C25 E:PB0394 4.0 19.3 1.0
C26 E:PB0394 4.0 13.8 1.0
C29 E:PB0394 4.1 18.0 1.0
C6 E:PB0394 4.1 19.2 1.0
C35 E:PB0394 4.3 17.8 1.0
C16 E:PB0394 4.4 18.5 1.0
CD1 E:ILE110 4.4 24.7 1.0
C18 E:PB0394 4.5 18.0 1.0
CZ3 E:TRP115 4.6 16.8 1.0
CE2 E:TRP115 4.6 16.1 1.0
CG E:LEU30 4.7 15.8 1.0
CG1 E:ILE110 4.7 24.6 1.0
F46 E:PB0394 4.8 19.3 1.0
CD1 E:LEU30 4.8 15.1 1.0
C28 E:PB0394 4.9 18.9 1.0
C22 E:PB0394 5.0 18.0 1.0

Reference:

K.M.Boy, J.M.Guernon, J.Shi, J.H.Toyn, J.E.Meredith, D.M.Barten, C.R.Burton, C.F.Albright, J.Marcinkeviciene, A.C.Good, A.J.Tebben, J.K.Muckelbauer, D.M.Camac, K.A.Lentz, J.J.Bronson, R.E.Olson, J.E.Macor, L.A.Thompson. Monosubstituted {Gamma}-Lactam and Conformationally Constrained 1,3-Diaminopropan-2-Ol Transition-State Isostere Inhibitors of {Beta}-Secretase (Bace). Bioorg.Med.Chem.Lett. V. 21 6916 2011.
ISSN: ISSN 0960-894X
PubMed: 21782431
DOI: 10.1016/J.BMCL.2011.06.109
Page generated: Sun Dec 13 11:54:14 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy