Chlorine in PDB 4i9u: Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
Enzymatic activity of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
All present enzymatic activity of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256:
1.1.1.27;
Protein crystallography data
The structure of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256, PDB code: 4i9u
was solved by
T.Zhou,
A.Kohlmann,
Z.G.Stephan,
L.Commodore,
M.T.Greenfield,
X.Zhu,
D.C.Dalgarno,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.50
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
83.690,
138.740,
138.170,
90.00,
94.82,
90.00
|
R / Rfree (%)
|
22.2 /
27.3
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
(pdb code 4i9u). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256, PDB code: 4i9u:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 1 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl401
b:13.0
occ:1.00
|
CL3
|
A:1E7401
|
0.0
|
13.0
|
1.0
|
C24
|
A:1E7401
|
1.8
|
25.3
|
1.0
|
C25
|
A:1E7401
|
2.8
|
25.0
|
1.0
|
C23
|
A:1E7401
|
2.8
|
26.6
|
1.0
|
N
|
A:GLY26
|
3.3
|
24.4
|
1.0
|
CA
|
A:GLY26
|
3.3
|
24.7
|
1.0
|
O
|
A:VAL50
|
3.5
|
31.6
|
1.0
|
OD1
|
A:ASP51
|
3.5
|
37.8
|
1.0
|
CA
|
A:ASP51
|
3.5
|
33.8
|
1.0
|
CG
|
A:ASP51
|
3.5
|
36.3
|
1.0
|
CG1
|
A:VAL25
|
3.6
|
21.9
|
1.0
|
CB
|
A:ALA95
|
3.7
|
22.4
|
1.0
|
OD2
|
A:ASP51
|
3.9
|
36.5
|
1.0
|
C
|
A:VAL25
|
3.9
|
23.9
|
1.0
|
CB
|
A:ASP51
|
4.0
|
33.6
|
1.0
|
C26
|
A:1E7401
|
4.1
|
24.6
|
1.0
|
C3
|
A:1E7401
|
4.2
|
28.7
|
1.0
|
C
|
A:VAL50
|
4.3
|
30.2
|
1.0
|
CD1
|
A:ILE119
|
4.3
|
30.1
|
1.0
|
O
|
A:VAL25
|
4.4
|
23.9
|
1.0
|
N
|
A:ASP51
|
4.4
|
32.2
|
1.0
|
C
|
A:ASP51
|
4.4
|
33.9
|
1.0
|
CA
|
A:ALA95
|
4.5
|
21.7
|
1.0
|
O
|
A:HOH535
|
4.6
|
25.6
|
1.0
|
N
|
A:VAL52
|
4.6
|
33.5
|
1.0
|
CA
|
A:VAL25
|
4.7
|
23.2
|
1.0
|
C
|
A:GLY26
|
4.7
|
26.6
|
1.0
|
C27
|
A:1E7401
|
4.7
|
27.6
|
1.0
|
CB
|
A:VAL25
|
4.7
|
24.3
|
1.0
|
OH
|
A:TYR82
|
4.9
|
30.8
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 2 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl401
b:17.2
occ:1.00
|
CL3
|
B:1E7401
|
0.0
|
17.2
|
1.0
|
C24
|
B:1E7401
|
1.7
|
24.5
|
1.0
|
C25
|
B:1E7401
|
2.8
|
25.5
|
1.0
|
C23
|
B:1E7401
|
2.8
|
25.8
|
1.0
|
N
|
B:GLY26
|
3.2
|
16.1
|
1.0
|
CA
|
B:ASP51
|
3.2
|
25.6
|
1.0
|
O
|
B:VAL50
|
3.4
|
20.4
|
1.0
|
CG1
|
B:VAL25
|
3.4
|
14.9
|
1.0
|
OD2
|
B:ASP51
|
3.4
|
27.6
|
1.0
|
CA
|
B:GLY26
|
3.4
|
16.2
|
1.0
|
CG
|
B:ASP51
|
3.5
|
27.6
|
1.0
|
CB
|
B:ASP51
|
3.7
|
26.8
|
1.0
|
C
|
B:VAL25
|
3.9
|
15.7
|
1.0
|
CB
|
B:ALA95
|
3.9
|
22.0
|
1.0
|
N
|
B:ASP51
|
4.0
|
25.0
|
1.0
|
C
|
B:VAL50
|
4.0
|
21.8
|
1.0
|
C26
|
B:1E7401
|
4.1
|
24.4
|
1.0
|
OD1
|
B:ASP51
|
4.1
|
28.7
|
1.0
|
C3
|
B:1E7401
|
4.2
|
26.1
|
1.0
|
CD1
|
B:ILE119
|
4.2
|
27.6
|
1.0
|
C
|
B:ASP51
|
4.3
|
26.7
|
1.0
|
N
|
B:VAL52
|
4.4
|
26.4
|
1.0
|
O
|
B:VAL25
|
4.5
|
15.6
|
1.0
|
CA
|
B:VAL25
|
4.5
|
15.1
|
1.0
|
CB
|
B:VAL25
|
4.6
|
17.2
|
1.0
|
OH
|
B:TYR82
|
4.6
|
28.1
|
1.0
|
CA
|
B:ALA95
|
4.7
|
23.0
|
1.0
|
C27
|
B:1E7401
|
4.7
|
26.1
|
1.0
|
C
|
B:GLY26
|
4.7
|
19.1
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 3 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl401
b:17.6
occ:1.00
|
CL3
|
C:1E7401
|
0.0
|
17.6
|
1.0
|
C24
|
C:1E7401
|
1.8
|
22.1
|
1.0
|
C25
|
C:1E7401
|
2.7
|
23.2
|
1.0
|
C23
|
C:1E7401
|
2.8
|
26.2
|
1.0
|
CA
|
C:GLY26
|
3.4
|
25.7
|
1.0
|
N
|
C:GLY26
|
3.4
|
22.5
|
1.0
|
CA
|
C:ASP51
|
3.4
|
26.2
|
1.0
|
CG1
|
C:VAL25
|
3.5
|
24.3
|
1.0
|
OD2
|
C:ASP51
|
3.5
|
27.1
|
1.0
|
O
|
C:VAL50
|
3.6
|
24.4
|
1.0
|
CB
|
C:ALA95
|
3.7
|
28.3
|
1.0
|
CG
|
C:ASP51
|
3.8
|
27.4
|
1.0
|
CD1
|
C:ILE119
|
3.9
|
31.2
|
1.0
|
CB
|
C:ASP51
|
4.0
|
26.1
|
1.0
|
C
|
C:VAL25
|
4.0
|
23.5
|
1.0
|
C26
|
C:1E7401
|
4.1
|
25.8
|
1.0
|
C3
|
C:1E7401
|
4.2
|
27.0
|
1.0
|
N
|
C:ASP51
|
4.2
|
26.5
|
1.0
|
C
|
C:VAL50
|
4.2
|
25.6
|
1.0
|
C
|
C:ASP51
|
4.4
|
27.4
|
1.0
|
CA
|
C:ALA95
|
4.4
|
29.7
|
1.0
|
N
|
C:VAL52
|
4.5
|
28.4
|
1.0
|
OD1
|
C:ASP51
|
4.6
|
29.0
|
1.0
|
O
|
C:VAL25
|
4.6
|
23.6
|
1.0
|
OH
|
C:TYR82
|
4.7
|
27.7
|
1.0
|
C27
|
C:1E7401
|
4.7
|
26.9
|
1.0
|
CB
|
C:VAL25
|
4.7
|
24.1
|
1.0
|
CA
|
C:VAL25
|
4.7
|
23.6
|
1.0
|
C
|
C:GLY26
|
4.8
|
27.4
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 4 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl401
b:11.3
occ:1.00
|
CL3
|
D:1E7401
|
0.0
|
11.3
|
1.0
|
C24
|
D:1E7401
|
1.7
|
22.2
|
1.0
|
C25
|
D:1E7401
|
2.7
|
23.3
|
1.0
|
C23
|
D:1E7401
|
2.8
|
24.7
|
1.0
|
N
|
D:GLY26
|
3.3
|
19.9
|
1.0
|
CA
|
D:GLY26
|
3.4
|
20.4
|
1.0
|
CA
|
D:ASP51
|
3.5
|
27.6
|
1.0
|
O
|
D:VAL50
|
3.6
|
26.8
|
1.0
|
CG1
|
D:VAL25
|
3.6
|
17.6
|
1.0
|
CB
|
D:ALA95
|
3.8
|
26.9
|
1.0
|
CG
|
D:ASP51
|
3.8
|
27.3
|
1.0
|
OD2
|
D:ASP51
|
3.8
|
28.1
|
1.0
|
C
|
D:VAL25
|
3.8
|
20.0
|
1.0
|
CD1
|
D:ILE119
|
4.0
|
28.1
|
1.0
|
C26
|
D:1E7401
|
4.1
|
24.8
|
1.0
|
OD1
|
D:ASP51
|
4.1
|
28.1
|
1.0
|
CB
|
D:ASP51
|
4.2
|
27.7
|
1.0
|
C3
|
D:1E7401
|
4.2
|
25.4
|
1.0
|
C
|
D:VAL50
|
4.2
|
26.5
|
1.0
|
N
|
D:ASP51
|
4.2
|
27.9
|
1.0
|
O
|
D:VAL25
|
4.3
|
21.4
|
1.0
|
C
|
D:ASP51
|
4.5
|
27.4
|
1.0
|
CA
|
D:ALA95
|
4.6
|
28.0
|
1.0
|
CA
|
D:VAL25
|
4.6
|
19.4
|
1.0
|
OH
|
D:TYR82
|
4.7
|
27.5
|
1.0
|
C27
|
D:1E7401
|
4.7
|
25.1
|
1.0
|
N
|
D:VAL52
|
4.7
|
28.5
|
1.0
|
CB
|
D:VAL25
|
4.7
|
20.7
|
1.0
|
CG2
|
D:VAL50
|
4.8
|
26.3
|
1.0
|
C
|
D:GLY26
|
4.8
|
21.0
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 5 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl401
b:19.6
occ:1.00
|
CL3
|
E:1E7401
|
0.0
|
19.6
|
1.0
|
C24
|
E:1E7401
|
1.8
|
29.1
|
1.0
|
C25
|
E:1E7401
|
2.8
|
29.9
|
1.0
|
C23
|
E:1E7401
|
2.8
|
30.2
|
1.0
|
CA
|
E:GLY26
|
3.3
|
27.7
|
1.0
|
N
|
E:GLY26
|
3.3
|
25.6
|
1.0
|
CG1
|
E:VAL25
|
3.5
|
28.8
|
1.0
|
O
|
E:VAL50
|
3.5
|
30.3
|
1.0
|
CA
|
E:ASP51
|
3.6
|
34.1
|
1.0
|
CD1
|
E:ILE119
|
3.7
|
24.9
|
1.0
|
OD2
|
E:ASP51
|
3.8
|
36.9
|
1.0
|
CB
|
E:ALA95
|
3.9
|
37.7
|
1.0
|
CG
|
E:ASP51
|
3.9
|
37.4
|
1.0
|
C
|
E:VAL25
|
4.0
|
25.6
|
1.0
|
C26
|
E:1E7401
|
4.1
|
31.7
|
1.0
|
C3
|
E:1E7401
|
4.2
|
31.6
|
1.0
|
CB
|
E:ASP51
|
4.2
|
35.9
|
1.0
|
C
|
E:VAL50
|
4.3
|
30.9
|
1.0
|
N
|
E:ASP51
|
4.3
|
32.2
|
1.0
|
CA
|
E:ALA95
|
4.4
|
37.0
|
1.0
|
OD1
|
E:ASP51
|
4.4
|
40.0
|
1.0
|
C
|
E:ASP51
|
4.4
|
34.7
|
1.0
|
O
|
E:VAL25
|
4.5
|
24.0
|
1.0
|
N
|
E:VAL52
|
4.6
|
36.1
|
1.0
|
C27
|
E:1E7401
|
4.7
|
32.4
|
1.0
|
CB
|
E:VAL25
|
4.7
|
26.7
|
1.0
|
CA
|
E:VAL25
|
4.7
|
26.2
|
1.0
|
OH
|
E:TYR82
|
4.7
|
25.0
|
1.0
|
C
|
E:GLY26
|
4.7
|
29.3
|
1.0
|
N
|
E:ALA95
|
4.9
|
35.1
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 6 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl401
b:26.4
occ:1.00
|
CL3
|
F:1E7401
|
0.0
|
26.4
|
1.0
|
C24
|
F:1E7401
|
1.8
|
32.5
|
1.0
|
C25
|
F:1E7401
|
2.8
|
35.1
|
1.0
|
C23
|
F:1E7401
|
2.8
|
33.7
|
1.0
|
O
|
F:VAL50
|
3.1
|
41.0
|
1.0
|
N
|
F:GLY26
|
3.2
|
23.9
|
1.0
|
CA
|
F:GLY26
|
3.3
|
23.3
|
1.0
|
OD2
|
F:ASP51
|
3.5
|
40.0
|
1.0
|
CA
|
F:ASP51
|
3.6
|
41.3
|
1.0
|
CG1
|
F:VAL25
|
3.6
|
23.1
|
1.0
|
CB
|
F:ALA95
|
3.7
|
29.5
|
1.0
|
CG
|
F:ASP51
|
3.9
|
41.0
|
1.0
|
C
|
F:VAL25
|
3.9
|
22.9
|
1.0
|
C
|
F:VAL50
|
4.1
|
39.9
|
1.0
|
C26
|
F:1E7401
|
4.1
|
36.0
|
1.0
|
CB
|
F:ASP51
|
4.2
|
40.7
|
1.0
|
C3
|
F:1E7401
|
4.2
|
36.0
|
1.0
|
N
|
F:ASP51
|
4.3
|
41.0
|
1.0
|
C
|
F:ASP51
|
4.4
|
41.7
|
1.0
|
O
|
F:VAL25
|
4.5
|
22.8
|
1.0
|
CA
|
F:ALA95
|
4.5
|
29.5
|
1.0
|
N
|
F:VAL52
|
4.5
|
41.0
|
1.0
|
OD1
|
F:ASP51
|
4.6
|
41.2
|
1.0
|
CA
|
F:VAL25
|
4.6
|
22.2
|
1.0
|
C
|
F:GLY26
|
4.6
|
24.4
|
1.0
|
C27
|
F:1E7401
|
4.7
|
36.3
|
1.0
|
CD1
|
F:ILE119
|
4.7
|
45.2
|
1.0
|
CB
|
F:VAL25
|
4.7
|
21.6
|
1.0
|
OH
|
F:TYR82
|
4.9
|
46.6
|
1.0
|
N
|
F:VAL27
|
4.9
|
23.7
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 7 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Cl401
b:28.4
occ:1.00
|
CL3
|
G:1E7401
|
0.0
|
28.4
|
1.0
|
C24
|
G:1E7401
|
1.8
|
31.1
|
1.0
|
C25
|
G:1E7401
|
2.8
|
29.9
|
1.0
|
C23
|
G:1E7401
|
2.8
|
32.2
|
1.0
|
N
|
G:GLY26
|
3.2
|
25.6
|
1.0
|
CG1
|
G:VAL25
|
3.4
|
24.9
|
1.0
|
CA
|
G:GLY26
|
3.5
|
26.8
|
1.0
|
CA
|
G:ASP51
|
3.5
|
32.2
|
1.0
|
O
|
G:VAL50
|
3.5
|
28.7
|
1.0
|
CG
|
G:ASP51
|
3.6
|
32.5
|
1.0
|
OD2
|
G:ASP51
|
3.7
|
33.5
|
1.0
|
CB
|
G:ALA95
|
3.7
|
29.6
|
1.0
|
OD1
|
G:ASP51
|
3.9
|
32.6
|
1.0
|
C
|
G:VAL25
|
3.9
|
24.8
|
1.0
|
CB
|
G:ASP51
|
4.0
|
32.6
|
1.0
|
C26
|
G:1E7401
|
4.1
|
30.1
|
1.0
|
C3
|
G:1E7401
|
4.2
|
31.6
|
1.0
|
C
|
G:VAL50
|
4.3
|
28.8
|
1.0
|
CD1
|
G:ILE119
|
4.3
|
31.7
|
1.0
|
N
|
G:ASP51
|
4.4
|
30.2
|
1.0
|
C
|
G:ASP51
|
4.4
|
33.6
|
1.0
|
CA
|
G:ALA95
|
4.4
|
31.3
|
1.0
|
N
|
G:VAL52
|
4.5
|
33.9
|
1.0
|
O
|
G:HOH504
|
4.5
|
19.8
|
1.0
|
CA
|
G:VAL25
|
4.5
|
23.5
|
1.0
|
CB
|
G:VAL25
|
4.6
|
23.5
|
1.0
|
O
|
G:VAL25
|
4.7
|
23.7
|
1.0
|
C27
|
G:1E7401
|
4.7
|
31.1
|
1.0
|
C
|
G:GLY26
|
4.8
|
28.4
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 4i9u
Go back to
Chlorine Binding Sites List in 4i9u
Chlorine binding site 8 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of Rabbit Ldha in Complex with A Fragment Inhibitor AP26256 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl401
b:14.8
occ:1.00
|
CL3
|
H:1E7401
|
0.0
|
14.8
|
1.0
|
C24
|
H:1E7401
|
1.7
|
22.3
|
1.0
|
C25
|
H:1E7401
|
2.7
|
22.4
|
1.0
|
C23
|
H:1E7401
|
2.8
|
25.1
|
1.0
|
N
|
H:GLY26
|
3.2
|
26.8
|
1.0
|
O
|
H:VAL50
|
3.4
|
27.5
|
1.0
|
CA
|
H:GLY26
|
3.4
|
25.7
|
1.0
|
CA
|
H:ASP51
|
3.4
|
27.2
|
1.0
|
CG1
|
H:VAL25
|
3.4
|
26.0
|
1.0
|
CG
|
H:ASP51
|
3.7
|
26.1
|
1.0
|
CB
|
H:ALA95
|
3.9
|
25.0
|
1.0
|
OD1
|
H:ASP51
|
3.9
|
21.9
|
1.0
|
OD2
|
H:ASP51
|
3.9
|
25.3
|
1.0
|
C
|
H:VAL25
|
4.0
|
27.8
|
1.0
|
CB
|
H:ASP51
|
4.0
|
26.1
|
1.0
|
C26
|
H:1E7401
|
4.1
|
24.7
|
1.0
|
O
|
H:HOH522
|
4.1
|
33.8
|
1.0
|
C
|
H:VAL50
|
4.1
|
26.0
|
1.0
|
C3
|
H:1E7401
|
4.2
|
28.1
|
1.0
|
N
|
H:ASP51
|
4.2
|
26.4
|
1.0
|
C
|
H:ASP51
|
4.4
|
27.7
|
1.0
|
CD1
|
H:ILE119
|
4.4
|
35.6
|
1.0
|
N
|
H:VAL52
|
4.5
|
28.9
|
1.0
|
O
|
H:VAL25
|
4.6
|
29.0
|
1.0
|
CA
|
H:VAL25
|
4.6
|
26.7
|
1.0
|
OH
|
H:TYR82
|
4.7
|
29.3
|
1.0
|
CB
|
H:VAL25
|
4.7
|
28.1
|
1.0
|
C27
|
H:1E7401
|
4.7
|
27.4
|
1.0
|
CA
|
H:ALA95
|
4.8
|
25.7
|
1.0
|
C
|
H:GLY26
|
4.8
|
26.4
|
1.0
|
CG2
|
H:VAL50
|
4.8
|
25.5
|
1.0
|
|
Reference:
A.Kohlmann,
S.G.Zech,
F.Li,
T.Zhou,
R.M.Squillace,
L.Commodore,
M.T.Greenfield,
X.Lu,
D.P.Miller,
W.S.Huang,
J.Qi,
R.M.Thomas,
Y.Wang,
S.Zhang,
R.Dodd,
S.Liu,
R.Xu,
Y.Xu,
J.J.Miret,
V.Rivera,
T.Clackson,
W.C.Shakespeare,
X.Zhu,
D.C.Dalgarno.
Fragment Growing and Linking Lead to Novel Nanomolar Lactate Dehydrogenase Inhibitors. J.Med.Chem. V. 56 1023 2013.
ISSN: ISSN 0022-2623
PubMed: 23302067
DOI: 10.1021/JM3014844
Page generated: Sun Jul 21 16:29:16 2024
|