Zinc in PDB 3ly2: Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Enzymatic activity of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
All present enzymatic activity of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor:
3.1.4.17;
Protein crystallography data
The structure of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor, PDB code: 3ly2
was solved by
A.K.Shiau,
A.R.Coyle,
J.H.Hsien,
L.M.Staszewski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.84 /
2.60
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
214.796,
233.964,
165.258,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
n/a /
n/a
|
Other elements in 3ly2:
The structure of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
(pdb code 3ly2). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor, PDB code: 3ly2:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 1 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn1001
b:27.9
occ:1.00
|
OD2
|
A:ASP275
|
2.1
|
22.4
|
1.0
|
NE2
|
A:HIS238
|
2.1
|
21.7
|
1.0
|
O
|
A:HOH1007
|
2.1
|
23.8
|
1.0
|
NE2
|
A:HIS274
|
2.1
|
25.8
|
1.0
|
OD2
|
A:ASP392
|
2.2
|
20.1
|
1.0
|
O
|
A:HOH1008
|
2.2
|
21.7
|
1.0
|
CG
|
A:ASP392
|
3.0
|
20.7
|
1.0
|
CE1
|
A:HIS238
|
3.0
|
19.9
|
1.0
|
OD1
|
A:ASP392
|
3.1
|
20.1
|
1.0
|
CE1
|
A:HIS274
|
3.1
|
23.4
|
1.0
|
CD2
|
A:HIS274
|
3.1
|
21.0
|
1.0
|
CD2
|
A:HIS238
|
3.2
|
22.2
|
1.0
|
CG
|
A:ASP275
|
3.3
|
23.6
|
1.0
|
O
|
A:HOH1006
|
3.8
|
15.8
|
1.0
|
MG
|
A:MG1002
|
3.9
|
24.9
|
1.0
|
OD1
|
A:ASP275
|
3.9
|
22.3
|
1.0
|
O
|
A:HOH1009
|
3.9
|
22.1
|
1.0
|
ND1
|
A:HIS238
|
4.2
|
21.5
|
1.0
|
ND1
|
A:HIS274
|
4.2
|
21.5
|
1.0
|
CD2
|
A:HIS234
|
4.2
|
26.3
|
1.0
|
CG
|
A:HIS274
|
4.3
|
22.4
|
1.0
|
CG
|
A:HIS238
|
4.3
|
21.6
|
1.0
|
CB
|
A:ASP392
|
4.4
|
24.5
|
1.0
|
CB
|
A:ASP275
|
4.4
|
23.6
|
1.0
|
NE2
|
A:HIS234
|
4.4
|
27.9
|
1.0
|
C19
|
A:Z721000
|
4.7
|
68.6
|
1.0
|
CG2
|
A:VAL242
|
4.8
|
21.0
|
1.0
|
O
|
A:HOH1004
|
4.8
|
27.0
|
1.0
|
CL20
|
A:Z721000
|
4.8
|
71.4
|
1.0
|
CA
|
A:ASP392
|
4.9
|
24.2
|
1.0
|
C21
|
A:Z721000
|
4.9
|
69.8
|
1.0
|
|
Zinc binding site 2 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 2 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn1001
b:27.4
occ:1.00
|
NE2
|
B:HIS274
|
2.1
|
21.3
|
1.0
|
OD2
|
B:ASP275
|
2.1
|
18.9
|
1.0
|
NE2
|
B:HIS238
|
2.1
|
22.1
|
1.0
|
OD2
|
B:ASP392
|
2.1
|
20.6
|
1.0
|
O
|
B:HOH1007
|
2.2
|
21.1
|
1.0
|
O
|
B:HOH1008
|
2.2
|
21.6
|
1.0
|
CG
|
B:ASP392
|
3.0
|
21.6
|
1.0
|
CD2
|
B:HIS274
|
3.0
|
20.4
|
1.0
|
CE1
|
B:HIS238
|
3.1
|
19.0
|
1.0
|
CE1
|
B:HIS274
|
3.1
|
17.8
|
1.0
|
OD1
|
B:ASP392
|
3.2
|
20.9
|
1.0
|
CD2
|
B:HIS238
|
3.2
|
21.2
|
1.0
|
CG
|
B:ASP275
|
3.2
|
21.4
|
1.0
|
O
|
B:HOH1006
|
3.7
|
13.7
|
1.0
|
OD1
|
B:ASP275
|
3.8
|
21.3
|
1.0
|
O
|
B:HOH1009
|
3.9
|
15.5
|
1.0
|
MG
|
B:MG1002
|
4.0
|
20.8
|
1.0
|
CG
|
B:HIS274
|
4.2
|
20.0
|
1.0
|
ND1
|
B:HIS274
|
4.2
|
17.9
|
1.0
|
ND1
|
B:HIS238
|
4.2
|
19.7
|
1.0
|
CD2
|
B:HIS234
|
4.3
|
23.4
|
1.0
|
CG
|
B:HIS238
|
4.3
|
21.7
|
1.0
|
CB
|
B:ASP275
|
4.4
|
19.7
|
1.0
|
CB
|
B:ASP392
|
4.4
|
21.7
|
1.0
|
NE2
|
B:HIS234
|
4.4
|
26.5
|
1.0
|
CG2
|
B:VAL242
|
4.8
|
18.2
|
1.0
|
O
|
B:HOH1004
|
4.8
|
19.2
|
1.0
|
C19
|
B:Z721000
|
4.9
|
58.8
|
1.0
|
CA
|
B:ASP392
|
4.9
|
23.7
|
1.0
|
CL20
|
B:Z721000
|
4.9
|
60.4
|
1.0
|
|
Zinc binding site 3 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 3 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn1001
b:33.1
occ:1.00
|
OD2
|
C:ASP392
|
2.1
|
29.7
|
1.0
|
NE2
|
C:HIS238
|
2.1
|
28.1
|
1.0
|
O
|
C:HOH1007
|
2.1
|
28.8
|
1.0
|
NE2
|
C:HIS274
|
2.1
|
30.4
|
1.0
|
OD2
|
C:ASP275
|
2.1
|
27.1
|
1.0
|
O
|
C:HOH1008
|
2.2
|
27.7
|
1.0
|
CG
|
C:ASP392
|
3.0
|
29.4
|
1.0
|
CE1
|
C:HIS274
|
3.1
|
27.9
|
1.0
|
CD2
|
C:HIS238
|
3.1
|
27.9
|
1.0
|
CE1
|
C:HIS238
|
3.1
|
26.4
|
1.0
|
CD2
|
C:HIS274
|
3.1
|
27.0
|
1.0
|
OD1
|
C:ASP392
|
3.3
|
27.5
|
1.0
|
CG
|
C:ASP275
|
3.3
|
23.0
|
1.0
|
OD1
|
C:ASP275
|
3.9
|
20.8
|
1.0
|
O
|
C:HOH1009
|
3.9
|
26.0
|
1.0
|
MG
|
C:MG1002
|
3.9
|
24.4
|
1.0
|
O
|
C:HOH1006
|
4.1
|
22.7
|
1.0
|
ND1
|
C:HIS274
|
4.2
|
26.9
|
1.0
|
ND1
|
C:HIS238
|
4.2
|
25.4
|
1.0
|
CG
|
C:HIS238
|
4.2
|
26.2
|
1.0
|
CG
|
C:HIS274
|
4.3
|
27.3
|
1.0
|
CD2
|
C:HIS234
|
4.3
|
28.6
|
1.0
|
CB
|
C:ASP392
|
4.4
|
29.6
|
1.0
|
CB
|
C:ASP275
|
4.5
|
22.8
|
1.0
|
NE2
|
C:HIS234
|
4.5
|
26.6
|
1.0
|
C19
|
C:Z721000
|
4.8
|
59.3
|
1.0
|
CG2
|
C:VAL242
|
4.8
|
26.6
|
1.0
|
CA
|
C:ASP392
|
4.9
|
29.9
|
1.0
|
C21
|
C:Z721000
|
4.9
|
59.7
|
1.0
|
O
|
C:HOH1004
|
4.9
|
20.0
|
1.0
|
CL20
|
C:Z721000
|
5.0
|
61.4
|
1.0
|
|
Zinc binding site 4 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 4 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn1001
b:28.0
occ:1.00
|
OD2
|
D:ASP275
|
2.1
|
25.5
|
1.0
|
NE2
|
D:HIS274
|
2.1
|
26.2
|
1.0
|
NE2
|
D:HIS238
|
2.1
|
24.6
|
1.0
|
O
|
D:HOH1007
|
2.1
|
26.5
|
1.0
|
OD2
|
D:ASP392
|
2.2
|
24.7
|
1.0
|
O
|
D:HOH1008
|
2.2
|
26.9
|
1.0
|
CD2
|
D:HIS274
|
3.0
|
23.3
|
1.0
|
CG
|
D:ASP392
|
3.0
|
25.6
|
1.0
|
CE1
|
D:HIS238
|
3.1
|
24.7
|
1.0
|
CE1
|
D:HIS274
|
3.1
|
25.6
|
1.0
|
CD2
|
D:HIS238
|
3.1
|
26.9
|
1.0
|
CG
|
D:ASP275
|
3.2
|
27.0
|
1.0
|
OD1
|
D:ASP392
|
3.2
|
26.3
|
1.0
|
OD1
|
D:ASP275
|
3.8
|
25.1
|
1.0
|
MG
|
D:MG1002
|
3.8
|
24.2
|
1.0
|
O
|
D:HOH1009
|
3.9
|
29.6
|
1.0
|
O
|
D:HOH1006
|
4.0
|
19.9
|
1.0
|
CG
|
D:HIS274
|
4.2
|
24.4
|
1.0
|
ND1
|
D:HIS274
|
4.2
|
23.5
|
1.0
|
CD2
|
D:HIS234
|
4.2
|
30.5
|
1.0
|
ND1
|
D:HIS238
|
4.2
|
25.9
|
1.0
|
CG
|
D:HIS238
|
4.3
|
25.8
|
1.0
|
CB
|
D:ASP275
|
4.4
|
25.0
|
1.0
|
NE2
|
D:HIS234
|
4.5
|
31.2
|
1.0
|
CB
|
D:ASP392
|
4.5
|
24.2
|
1.0
|
O
|
D:HOH1004
|
4.6
|
21.5
|
1.0
|
CG2
|
D:VAL242
|
4.7
|
22.0
|
1.0
|
C19
|
D:Z721000
|
4.8
|
64.0
|
1.0
|
CA
|
D:ASP392
|
5.0
|
25.0
|
1.0
|
|
Zinc binding site 5 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 5 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn1001
b:35.0
occ:1.00
|
OD2
|
E:ASP275
|
2.1
|
26.1
|
1.0
|
O
|
E:HOH1007
|
2.1
|
31.2
|
1.0
|
NE2
|
E:HIS238
|
2.1
|
30.0
|
1.0
|
NE2
|
E:HIS274
|
2.1
|
33.0
|
1.0
|
OD2
|
E:ASP392
|
2.1
|
29.4
|
1.0
|
O
|
E:HOH1008
|
2.2
|
30.0
|
1.0
|
CG
|
E:ASP392
|
3.0
|
29.8
|
1.0
|
CE1
|
E:HIS274
|
3.1
|
31.2
|
1.0
|
CD2
|
E:HIS238
|
3.1
|
28.0
|
1.0
|
CE1
|
E:HIS238
|
3.1
|
26.9
|
1.0
|
CD2
|
E:HIS274
|
3.1
|
30.0
|
1.0
|
CG
|
E:ASP275
|
3.3
|
26.4
|
1.0
|
OD1
|
E:ASP392
|
3.3
|
29.3
|
1.0
|
OD1
|
E:ASP275
|
3.8
|
27.5
|
1.0
|
MG
|
E:MG1002
|
3.9
|
28.7
|
1.0
|
O
|
E:HOH1009
|
3.9
|
30.4
|
1.0
|
O
|
E:HOH1006
|
4.1
|
25.4
|
1.0
|
ND1
|
E:HIS274
|
4.2
|
28.8
|
1.0
|
ND1
|
E:HIS238
|
4.2
|
26.7
|
1.0
|
CG
|
E:HIS238
|
4.2
|
26.3
|
1.0
|
CG
|
E:HIS274
|
4.3
|
29.6
|
1.0
|
CD2
|
E:HIS234
|
4.3
|
27.9
|
1.0
|
CB
|
E:ASP392
|
4.5
|
30.2
|
1.0
|
CB
|
E:ASP275
|
4.5
|
24.0
|
1.0
|
NE2
|
E:HIS234
|
4.5
|
27.4
|
1.0
|
C19
|
E:Z721000
|
4.8
|
59.5
|
1.0
|
CG2
|
E:VAL242
|
4.8
|
27.2
|
1.0
|
C21
|
E:Z721000
|
4.9
|
59.4
|
1.0
|
CA
|
E:ASP392
|
4.9
|
30.6
|
1.0
|
O
|
E:HOH1004
|
4.9
|
23.6
|
1.0
|
|
Zinc binding site 6 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 6 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Zn1001
b:36.2
occ:1.00
|
OD2
|
F:ASP275
|
2.1
|
30.3
|
1.0
|
O
|
F:HOH1007
|
2.1
|
27.9
|
1.0
|
NE2
|
F:HIS274
|
2.1
|
35.6
|
1.0
|
OD2
|
F:ASP392
|
2.1
|
27.5
|
1.0
|
NE2
|
F:HIS238
|
2.1
|
28.1
|
1.0
|
O
|
F:HOH1008
|
2.2
|
31.5
|
1.0
|
CG
|
F:ASP392
|
3.0
|
26.1
|
1.0
|
CD2
|
F:HIS274
|
3.0
|
30.8
|
1.0
|
CE1
|
F:HIS238
|
3.1
|
28.6
|
1.0
|
OD1
|
F:ASP392
|
3.1
|
26.5
|
1.0
|
CE1
|
F:HIS274
|
3.2
|
34.0
|
1.0
|
CD2
|
F:HIS238
|
3.2
|
28.4
|
1.0
|
CG
|
F:ASP275
|
3.2
|
29.6
|
1.0
|
OD1
|
F:ASP275
|
3.8
|
28.7
|
1.0
|
MG
|
F:MG1002
|
3.8
|
29.1
|
1.0
|
O
|
F:HOH1009
|
3.8
|
40.0
|
1.0
|
O
|
F:HOH1006
|
4.0
|
27.8
|
1.0
|
CG
|
F:HIS274
|
4.2
|
31.4
|
1.0
|
CD2
|
F:HIS234
|
4.2
|
33.2
|
1.0
|
ND1
|
F:HIS274
|
4.2
|
31.9
|
1.0
|
ND1
|
F:HIS238
|
4.2
|
28.4
|
1.0
|
CG
|
F:HIS238
|
4.3
|
28.1
|
1.0
|
CB
|
F:ASP275
|
4.4
|
27.6
|
1.0
|
CB
|
F:ASP392
|
4.4
|
28.7
|
1.0
|
NE2
|
F:HIS234
|
4.5
|
34.8
|
1.0
|
O
|
F:HOH1004
|
4.6
|
29.1
|
1.0
|
CG2
|
F:VAL242
|
4.7
|
25.7
|
1.0
|
C19
|
F:Z721000
|
4.8
|
67.5
|
1.0
|
CA
|
F:ASP392
|
4.9
|
30.2
|
1.0
|
C21
|
F:Z721000
|
4.9
|
68.3
|
1.0
|
|
Zinc binding site 7 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 7 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Zn1001
b:32.6
occ:1.00
|
OD2
|
G:ASP275
|
2.1
|
27.3
|
1.0
|
NE2
|
G:HIS274
|
2.1
|
25.9
|
1.0
|
O
|
G:HOH1007
|
2.1
|
31.4
|
1.0
|
NE2
|
G:HIS238
|
2.1
|
27.5
|
1.0
|
OD2
|
G:ASP392
|
2.2
|
30.0
|
1.0
|
O
|
G:HOH1008
|
2.2
|
19.9
|
1.0
|
CG
|
G:ASP392
|
3.0
|
30.8
|
1.0
|
CD2
|
G:HIS274
|
3.1
|
22.7
|
1.0
|
CE1
|
G:HIS274
|
3.1
|
24.0
|
1.0
|
CE1
|
G:HIS238
|
3.1
|
25.5
|
1.0
|
CD2
|
G:HIS238
|
3.1
|
26.3
|
1.0
|
OD1
|
G:ASP392
|
3.1
|
31.8
|
1.0
|
CG
|
G:ASP275
|
3.2
|
26.9
|
1.0
|
OD1
|
G:ASP275
|
3.7
|
25.0
|
1.0
|
MG
|
G:MG1002
|
3.9
|
27.1
|
1.0
|
O
|
G:HOH1009
|
3.9
|
37.5
|
1.0
|
O
|
G:HOH1006
|
3.9
|
24.2
|
1.0
|
ND1
|
G:HIS274
|
4.2
|
22.3
|
1.0
|
CG
|
G:HIS274
|
4.2
|
23.8
|
1.0
|
CD2
|
G:HIS234
|
4.2
|
28.1
|
1.0
|
ND1
|
G:HIS238
|
4.2
|
26.2
|
1.0
|
CG
|
G:HIS238
|
4.2
|
25.7
|
1.0
|
CB
|
G:ASP392
|
4.4
|
32.2
|
1.0
|
CB
|
G:ASP275
|
4.4
|
24.6
|
1.0
|
NE2
|
G:HIS234
|
4.5
|
29.4
|
1.0
|
C19
|
G:Z721000
|
4.8
|
68.1
|
1.0
|
CG2
|
G:VAL242
|
4.8
|
28.7
|
1.0
|
O
|
G:HOH1004
|
4.8
|
21.4
|
1.0
|
CL20
|
G:Z721000
|
4.8
|
69.7
|
1.0
|
C21
|
G:Z721000
|
4.9
|
69.3
|
1.0
|
CA
|
G:ASP392
|
4.9
|
32.0
|
1.0
|
|
Zinc binding site 8 out
of 8 in 3ly2
Go back to
Zinc Binding Sites List in 3ly2
Zinc binding site 8 out
of 8 in the Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Catalytic Domain of Human Phosphodiesterase 4B in Complex with A Coumarin-Based Inhibitor within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Zn1001
b:31.4
occ:1.00
|
OD2
|
H:ASP275
|
2.1
|
28.0
|
1.0
|
NE2
|
H:HIS274
|
2.1
|
23.9
|
1.0
|
NE2
|
H:HIS238
|
2.1
|
26.4
|
1.0
|
O
|
H:HOH1007
|
2.1
|
27.2
|
1.0
|
OD2
|
H:ASP392
|
2.2
|
31.5
|
1.0
|
O
|
H:HOH1008
|
2.2
|
24.7
|
1.0
|
CG
|
H:ASP392
|
3.0
|
32.2
|
1.0
|
CD2
|
H:HIS274
|
3.1
|
21.6
|
1.0
|
CE1
|
H:HIS238
|
3.1
|
25.2
|
1.0
|
CE1
|
H:HIS274
|
3.1
|
21.7
|
1.0
|
CD2
|
H:HIS238
|
3.1
|
25.9
|
1.0
|
OD1
|
H:ASP392
|
3.1
|
34.5
|
1.0
|
CG
|
H:ASP275
|
3.2
|
27.5
|
1.0
|
OD1
|
H:ASP275
|
3.7
|
26.6
|
1.0
|
O
|
H:HOH1009
|
3.9
|
37.5
|
1.0
|
MG
|
H:MG1002
|
3.9
|
26.6
|
1.0
|
O
|
H:HOH1006
|
3.9
|
25.0
|
1.0
|
CD2
|
H:HIS234
|
4.2
|
28.6
|
1.0
|
ND1
|
H:HIS274
|
4.2
|
24.3
|
1.0
|
CG
|
H:HIS274
|
4.2
|
24.1
|
1.0
|
ND1
|
H:HIS238
|
4.2
|
25.9
|
1.0
|
CG
|
H:HIS238
|
4.2
|
25.6
|
1.0
|
CB
|
H:ASP392
|
4.4
|
33.8
|
1.0
|
CB
|
H:ASP275
|
4.4
|
25.6
|
1.0
|
NE2
|
H:HIS234
|
4.4
|
27.9
|
1.0
|
C19
|
H:Z721000
|
4.7
|
68.0
|
1.0
|
O
|
H:HOH1004
|
4.7
|
18.4
|
1.0
|
CL20
|
H:Z721000
|
4.8
|
71.3
|
1.0
|
CG2
|
H:VAL242
|
4.8
|
28.4
|
1.0
|
C21
|
H:Z721000
|
4.9
|
69.1
|
1.0
|
CA
|
H:ASP392
|
4.9
|
32.7
|
1.0
|
|
Reference:
S.P.Govek,
G.Oshiro,
J.V.Anzola,
C.Beauregard,
J.Chen,
A.R.Coyle,
D.A.Gamache,
M.R.Hellberg,
J.N.Hsien,
J.M.Lerch,
J.C.Liao,
J.W.Malecha,
L.M.Staszewski,
D.J.Thomas,
J.M.Yanni,
S.A.Noble,
A.K.Shiau.
Water-Soluble PDE4 Inhibitors For the Treatment of Dry Eye. Bioorg.Med.Chem.Lett. V. 20 2928 2010.
ISSN: ISSN 0960-894X
PubMed: 20378348
DOI: 10.1016/J.BMCL.2010.03.023
Page generated: Sat Oct 26 08:58:15 2024
|