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OH
O
R
H 2 N
O
N
HO
X
N
S
N
NH
O
Cl
NH
N
NH
Br
HO
O
NH
O
NH
OH
TDZD8
NH
O
O
R
NH
Indirubin-3'-oxime
BIO
(R=H)
O
N
Paullone
Kenpaullone
Alsterpaullone
Azakenpaullone
(R=H; X=C)
(R=Br; X=C)
(R=NO 2 ; X=C)
(R=Br; X=N)
(R=Br)
Hymenialdisine
R 2
Flavopiridol
N
R 1
NH
N
N
NH
N
Aloisine A
Aloisine B
O
S
NH
[R 1 =OH; R 2 =(CH 2 ) 3 CH 3 ]
O
O
I
N
Br
F
NH
N
N
N
[R 1 =Cl; R 2 =CH(CH 3 ) 2 ]
NH
Compound 12
R
N
Pyrazolopyridine 18
NH 2
Pyrazolopyridine 34
N
NH 2
(R=2- furyl)
N
Cl
Cl
O 2 N
R 2
N
N
N
R 1
Cl
Cl
NH
N
N
NH
Compound 1
N
NH
N
NH
N
CT20026
O
NH
N
N
N
R 3
O
O
CHIR98014
(R 1 =NO; R 2 =NH 2 ; R 3 =H)
CHIR99021
(R 1 =CN; R 2 =H; R 3 =CH 3 )
O -
NH
NH
S
O
N +
SU9516
O
N
NN
HH
ARA014418
O
O
NH
NH
O
O
NH
O
O
NH
O
O
N
N
N
N
N
N
N
O
N
N
(CH 2 ) 3
(CH 2 ) 3
N
N
N
S
O
O
O
O
( ) 3
NHCH 2
O
N
Compound 46
Staurosporine
Compound 29
O
NH
O
Compound 5a
HO
O
N
NH 2
N
NH
O
O
NH
N
Cl
O 2 N
N
HN
R 1
TWS119
NH
OCH 3
N
OH
N
N
GF109203x
[R 1 =H; R 2 =N(CH 3 ) 2 ]
Ro318220
[R 1 =CH 3 ; R 2 =SC(NH)NH 2 ]
N
R 2
N
N
SB415286
N
N
N
NH 2
N
O
NH
N
N
O
NH
NH
O
N
N
COOH
Compound 8b
Br
Cl
Compound 1A
N
NH
Cl
Cl
Br
NH
S
Cl
I5
CGP60474
OH
O
Compound 17
Figure 2: Structures of some of the most studied pharmacological inhibitors of GSK-3β.
No direct interactions are observed between the AMP-PNP phosphate groups and the nucleotide-binding loop of
GSK-3β. Instead the loop interacts with the phosphate groups through bridging water molecules and shields the
phosphate groups from the bulk solvent.
 
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