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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

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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

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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

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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

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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

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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

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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

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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: Mon Jul 14 19:03:55 2025

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