Iodine in PDB 5cnk: MGLUR3 with Glutamate
Protein crystallography data
The structure of MGLUR3 with Glutamate, PDB code: 5cnk
was solved by
J.A.Monn,
D.K.Clawson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
78.38 /
3.15
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
138.344,
80.004,
206.861,
90.00,
130.73,
90.00
|
R / Rfree (%)
|
22.1 /
25.8
|
Iodine Binding Sites:
The binding sites of Iodine atom in the MGLUR3 with Glutamate
(pdb code 5cnk). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 10 binding sites of Iodine where determined in the
MGLUR3 with Glutamate, PDB code: 5cnk:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 1 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I602
b:53.5
occ:1.00
|
OD1
|
A:ASP63
|
3.2
|
69.0
|
1.0
|
NZ
|
A:LYS358
|
3.7
|
11.2
|
1.0
|
NE2
|
A:GLN67
|
3.7
|
58.0
|
1.0
|
CE1
|
A:PHE354
|
4.0
|
40.6
|
1.0
|
CZ
|
A:PHE354
|
4.1
|
39.7
|
1.0
|
CE2
|
A:PHE337
|
4.2
|
31.2
|
1.0
|
CB
|
A:GLU62
|
4.2
|
38.7
|
1.0
|
CD1
|
A:TYR384
|
4.4
|
52.8
|
1.0
|
CG
|
A:GLN67
|
4.4
|
51.1
|
1.0
|
O
|
A:GLU62
|
4.4
|
47.2
|
1.0
|
CE
|
A:LYS358
|
4.4
|
30.7
|
1.0
|
C
|
A:GLU62
|
4.5
|
45.8
|
1.0
|
CG
|
A:ASP63
|
4.5
|
66.5
|
1.0
|
CD
|
A:GLN67
|
4.5
|
63.2
|
1.0
|
OE2
|
A:GLU62
|
4.6
|
80.0
|
1.0
|
CD
|
A:LYS358
|
4.7
|
32.0
|
1.0
|
CZ
|
A:PHE337
|
4.7
|
29.9
|
1.0
|
N
|
A:ASP63
|
4.8
|
43.4
|
1.0
|
O
|
A:ASN383
|
4.8
|
52.0
|
1.0
|
CA
|
A:GLU62
|
4.9
|
37.4
|
1.0
|
CB
|
A:TYR384
|
4.9
|
48.2
|
1.0
|
|
Iodine binding site 2 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 2 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I603
b:45.8
occ:1.00
|
OG
|
A:SER152
|
3.4
|
53.7
|
1.0
|
N
|
A:SER152
|
3.7
|
30.1
|
1.0
|
CB
|
A:SER152
|
3.7
|
36.0
|
1.0
|
NE
|
A:ARG277
|
3.7
|
33.0
|
1.0
|
N
|
A:TYR222
|
3.9
|
43.9
|
1.0
|
CB
|
A:TYR222
|
3.9
|
43.6
|
1.0
|
N
|
A:SER151
|
4.1
|
27.7
|
1.0
|
N
|
A:ASP221
|
4.3
|
39.2
|
1.0
|
CB
|
A:TYR150
|
4.3
|
36.6
|
1.0
|
CA
|
A:SER152
|
4.3
|
31.0
|
1.0
|
CG
|
A:ARG277
|
4.5
|
20.1
|
1.0
|
CD1
|
A:TYR150
|
4.5
|
42.0
|
1.0
|
NH2
|
A:ARG277
|
4.5
|
40.6
|
1.0
|
CD
|
A:ARG277
|
4.5
|
15.4
|
1.0
|
CA
|
A:TYR222
|
4.5
|
42.3
|
1.0
|
CZ
|
A:ARG277
|
4.6
|
48.4
|
1.0
|
OXT
|
A:GGL601
|
4.6
|
35.4
|
1.0
|
C
|
A:SER151
|
4.6
|
31.2
|
1.0
|
CB
|
A:SER151
|
4.6
|
25.3
|
1.0
|
CA
|
A:SER151
|
4.7
|
26.0
|
1.0
|
C
|
A:TYR150
|
4.7
|
35.0
|
1.0
|
CA
|
A:TYR150
|
4.8
|
34.6
|
1.0
|
C
|
A:ASP221
|
4.8
|
49.1
|
1.0
|
C
|
A:GLY220
|
4.8
|
40.6
|
1.0
|
CG
|
A:TYR150
|
4.8
|
39.3
|
1.0
|
CA
|
A:ASP221
|
4.8
|
41.4
|
1.0
|
CA
|
A:GLY220
|
4.9
|
37.8
|
1.0
|
CB
|
A:ASP221
|
4.9
|
44.2
|
1.0
|
|
Iodine binding site 3 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 3 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I604
b:69.5
occ:1.00
|
OG1
|
A:THR98
|
3.2
|
49.8
|
1.0
|
N
|
A:SER149
|
3.4
|
43.4
|
1.0
|
CG2
|
A:VAL153
|
3.6
|
34.2
|
1.0
|
N
|
A:TYR150
|
3.7
|
35.3
|
1.0
|
CB
|
A:SER149
|
3.7
|
44.0
|
1.0
|
CG2
|
A:THR98
|
3.8
|
45.2
|
1.0
|
CB
|
A:THR98
|
3.8
|
49.2
|
1.0
|
CG1
|
A:VAL153
|
3.8
|
34.5
|
1.0
|
CD2
|
A:TYR150
|
3.9
|
41.2
|
1.0
|
CB
|
A:PRO46
|
3.9
|
24.2
|
1.0
|
CD
|
A:PRO46
|
3.9
|
24.1
|
1.0
|
N
|
A:PRO46
|
4.0
|
23.6
|
1.0
|
CA
|
A:SER149
|
4.0
|
41.4
|
1.0
|
CG
|
A:PRO46
|
4.0
|
28.3
|
1.0
|
CA
|
A:GLY148
|
4.3
|
45.6
|
1.0
|
CB
|
A:VAL153
|
4.3
|
34.8
|
1.0
|
C
|
A:GLY148
|
4.3
|
48.9
|
1.0
|
C
|
A:SER149
|
4.3
|
41.2
|
1.0
|
CA
|
A:PRO46
|
4.3
|
23.2
|
1.0
|
OG
|
A:SER149
|
4.4
|
49.0
|
1.0
|
C
|
A:PHE45
|
4.4
|
30.3
|
1.0
|
CB
|
A:TYR150
|
4.5
|
36.6
|
1.0
|
CG
|
A:TYR150
|
4.6
|
39.3
|
1.0
|
CA
|
A:TYR150
|
4.6
|
34.6
|
1.0
|
CE2
|
A:TYR150
|
4.7
|
43.5
|
1.0
|
CA
|
A:PHE45
|
4.9
|
28.7
|
1.0
|
O
|
A:TYR150
|
4.9
|
35.2
|
1.0
|
O
|
A:LEU44
|
4.9
|
30.8
|
1.0
|
|
Iodine binding site 4 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 4 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I605
b:93.0
occ:1.00
|
NE2
|
B:HIS346
|
3.2
|
59.6
|
1.0
|
OD2
|
A:ASP257
|
3.4
|
61.3
|
1.0
|
CD1
|
B:TYR343
|
3.6
|
52.0
|
1.0
|
N
|
A:TYR256
|
3.6
|
37.3
|
1.0
|
CE1
|
B:HIS346
|
3.6
|
59.3
|
1.0
|
CB
|
A:SER255
|
3.9
|
49.0
|
1.0
|
N
|
A:ASP257
|
4.0
|
38.2
|
1.0
|
CE1
|
B:TYR343
|
4.1
|
52.1
|
1.0
|
CB
|
A:TYR256
|
4.1
|
34.8
|
1.0
|
CD2
|
B:HIS346
|
4.2
|
59.4
|
1.0
|
CA
|
A:TYR256
|
4.3
|
35.3
|
1.0
|
CA
|
A:SER255
|
4.4
|
45.1
|
1.0
|
CG
|
A:ASP257
|
4.4
|
54.2
|
1.0
|
OG
|
A:SER255
|
4.4
|
59.5
|
1.0
|
C
|
A:SER255
|
4.5
|
43.9
|
1.0
|
CA
|
B:TYR343
|
4.5
|
43.3
|
1.0
|
CB
|
A:ASP257
|
4.5
|
39.8
|
1.0
|
O
|
B:PRO342
|
4.5
|
44.4
|
1.0
|
CD1
|
A:TYR256
|
4.6
|
38.5
|
1.0
|
NH1
|
A:ARG290
|
4.7
|
64.2
|
1.0
|
CG
|
B:TYR343
|
4.7
|
49.5
|
1.0
|
C
|
A:TYR256
|
4.7
|
42.2
|
1.0
|
O
|
B:TYR343
|
4.8
|
51.3
|
1.0
|
ND1
|
B:HIS346
|
4.8
|
59.5
|
1.0
|
CB
|
B:TYR343
|
4.9
|
45.3
|
1.0
|
CG
|
A:TYR256
|
4.9
|
36.1
|
1.0
|
CA
|
A:ASP257
|
4.9
|
38.0
|
1.0
|
|
Iodine binding site 5 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 5 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I601
b:57.4
occ:1.00
|
NE2
|
B:GLN67
|
3.6
|
17.0
|
1.0
|
OD1
|
B:ASP63
|
3.6
|
68.3
|
1.0
|
NZ
|
B:LYS358
|
3.8
|
32.6
|
1.0
|
CE2
|
B:PHE337
|
4.0
|
35.7
|
1.0
|
CZ
|
B:PHE354
|
4.0
|
37.4
|
1.0
|
CE1
|
B:PHE354
|
4.0
|
37.9
|
1.0
|
CD1
|
B:TYR384
|
4.2
|
46.1
|
1.0
|
CZ
|
B:PHE337
|
4.2
|
33.4
|
1.0
|
CG
|
B:GLN67
|
4.3
|
13.3
|
1.0
|
CB
|
B:GLU62
|
4.4
|
38.5
|
1.0
|
CD
|
B:GLN67
|
4.4
|
21.5
|
1.0
|
CE
|
B:LYS358
|
4.4
|
30.3
|
1.0
|
O
|
B:GLU62
|
4.4
|
39.8
|
1.0
|
C
|
B:GLU62
|
4.5
|
38.8
|
1.0
|
CD
|
B:LYS358
|
4.6
|
40.8
|
1.0
|
CG
|
B:ASP63
|
4.7
|
62.7
|
1.0
|
OE2
|
B:GLU62
|
4.7
|
35.2
|
1.0
|
N
|
B:ASP63
|
4.8
|
32.3
|
1.0
|
CB
|
B:TYR384
|
4.9
|
40.6
|
1.0
|
O
|
B:ASN383
|
5.0
|
40.5
|
1.0
|
CA
|
B:ASP63
|
5.0
|
31.8
|
1.0
|
CE1
|
B:TYR384
|
5.0
|
46.1
|
1.0
|
CA
|
B:GLU62
|
5.0
|
37.0
|
1.0
|
|
Iodine binding site 6 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 6 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I602
b:84.3
occ:1.00
|
N
|
B:SER149
|
3.3
|
29.1
|
1.0
|
OG1
|
B:THR98
|
3.3
|
50.9
|
1.0
|
CG2
|
B:VAL153
|
3.5
|
34.8
|
1.0
|
CB
|
B:SER149
|
3.6
|
35.0
|
1.0
|
N
|
B:TYR150
|
3.6
|
21.3
|
1.0
|
CG2
|
B:THR98
|
3.8
|
48.7
|
1.0
|
CG1
|
B:VAL153
|
3.8
|
35.1
|
1.0
|
CA
|
B:SER149
|
3.9
|
28.3
|
1.0
|
CB
|
B:THR98
|
3.9
|
49.2
|
1.0
|
CD2
|
B:TYR150
|
4.0
|
21.8
|
1.0
|
CD
|
B:PRO46
|
4.0
|
15.4
|
1.0
|
CB
|
B:PRO46
|
4.1
|
16.2
|
1.0
|
N
|
B:PRO46
|
4.1
|
15.1
|
1.0
|
CG
|
B:PRO46
|
4.2
|
19.1
|
1.0
|
CA
|
B:GLY148
|
4.2
|
34.1
|
1.0
|
C
|
B:GLY148
|
4.2
|
34.2
|
1.0
|
CB
|
B:VAL153
|
4.3
|
35.2
|
1.0
|
C
|
B:SER149
|
4.3
|
28.2
|
1.0
|
C
|
B:PHE45
|
4.4
|
22.2
|
1.0
|
CB
|
B:TYR150
|
4.5
|
19.8
|
1.0
|
CA
|
B:PRO46
|
4.5
|
14.4
|
1.0
|
OG
|
B:SER149
|
4.6
|
49.1
|
1.0
|
CA
|
B:TYR150
|
4.6
|
19.5
|
1.0
|
CG
|
B:TYR150
|
4.7
|
20.4
|
1.0
|
CA
|
B:PHE45
|
4.7
|
20.7
|
1.0
|
O
|
B:LEU44
|
4.8
|
24.5
|
1.0
|
O
|
B:TYR150
|
4.8
|
21.7
|
1.0
|
N
|
B:GLY148
|
4.9
|
36.0
|
1.0
|
CE2
|
B:TYR150
|
4.9
|
22.9
|
1.0
|
N
|
B:PHE45
|
5.0
|
21.4
|
1.0
|
O
|
B:PHE45
|
5.0
|
24.3
|
1.0
|
|
Iodine binding site 7 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 7 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:I603
b:51.4
occ:1.00
|
NE
|
B:ARG277
|
3.4
|
3.0
|
1.0
|
OG
|
B:SER152
|
3.6
|
42.5
|
1.0
|
N
|
B:SER152
|
3.9
|
28.3
|
1.0
|
CB
|
B:TYR222
|
3.9
|
46.9
|
1.0
|
CB
|
B:SER152
|
3.9
|
33.7
|
1.0
|
N
|
B:TYR222
|
4.0
|
47.1
|
1.0
|
CG
|
B:ARG277
|
4.1
|
26.6
|
1.0
|
CD
|
B:ARG277
|
4.2
|
7.4
|
1.0
|
N
|
B:SER151
|
4.2
|
20.7
|
1.0
|
CB
|
B:TYR150
|
4.3
|
19.8
|
1.0
|
NH2
|
B:ARG277
|
4.3
|
24.1
|
1.0
|
CZ
|
B:ARG277
|
4.3
|
26.6
|
1.0
|
CD1
|
B:TYR150
|
4.4
|
21.6
|
1.0
|
N
|
B:ASP221
|
4.5
|
51.4
|
1.0
|
CA
|
B:SER152
|
4.5
|
29.2
|
1.0
|
O
|
B:HOH704
|
4.6
|
3.0
|
1.0
|
CA
|
B:TYR222
|
4.6
|
46.6
|
1.0
|
CB
|
B:SER151
|
4.8
|
25.1
|
1.0
|
C
|
B:TYR150
|
4.8
|
22.7
|
1.0
|
CG
|
B:TYR150
|
4.8
|
20.4
|
1.0
|
C
|
B:SER151
|
4.8
|
30.2
|
1.0
|
CA
|
B:SER151
|
4.8
|
21.5
|
1.0
|
CA
|
B:TYR150
|
4.9
|
19.5
|
1.0
|
CA
|
B:GLY220
|
5.0
|
48.9
|
1.0
|
|
Iodine binding site 8 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 8 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I601
b:62.0
occ:1.00
|
OD1
|
C:ASP63
|
3.3
|
82.7
|
1.0
|
NE2
|
C:GLN67
|
3.5
|
27.8
|
1.0
|
NZ
|
C:LYS358
|
3.8
|
22.9
|
1.0
|
CE2
|
C:PHE337
|
4.0
|
50.1
|
1.0
|
CZ
|
C:PHE354
|
4.1
|
53.6
|
1.0
|
CE1
|
C:PHE354
|
4.1
|
54.8
|
1.0
|
CD1
|
C:TYR384
|
4.2
|
56.9
|
1.0
|
CZ
|
C:PHE337
|
4.3
|
47.2
|
1.0
|
CG
|
C:GLN67
|
4.3
|
38.9
|
1.0
|
CE
|
C:LYS358
|
4.4
|
21.6
|
1.0
|
CB
|
C:GLU62
|
4.4
|
42.1
|
1.0
|
CD
|
C:GLN67
|
4.4
|
47.6
|
1.0
|
O
|
C:GLU62
|
4.5
|
41.3
|
1.0
|
CG
|
C:ASP63
|
4.5
|
78.8
|
1.0
|
C
|
C:GLU62
|
4.6
|
43.0
|
1.0
|
CD
|
C:LYS358
|
4.6
|
34.2
|
1.0
|
OE2
|
C:GLU62
|
4.7
|
78.5
|
1.0
|
N
|
C:ASP63
|
4.9
|
40.7
|
1.0
|
CB
|
C:TYR384
|
4.9
|
52.5
|
1.0
|
O
|
C:ASN383
|
5.0
|
56.8
|
1.0
|
CE1
|
C:TYR384
|
5.0
|
57.5
|
1.0
|
|
Iodine binding site 9 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 9 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I602
b:42.8
occ:1.00
|
O
|
C:HOH706
|
3.0
|
3.0
|
1.0
|
OG
|
C:SER152
|
3.6
|
42.3
|
1.0
|
NE
|
C:ARG277
|
3.7
|
4.2
|
1.0
|
CB
|
C:SER152
|
3.8
|
33.0
|
1.0
|
N
|
C:SER152
|
3.8
|
29.5
|
1.0
|
CB
|
C:TYR222
|
3.9
|
39.4
|
1.0
|
N
|
C:TYR222
|
3.9
|
42.1
|
1.0
|
NH2
|
C:ARG277
|
4.0
|
33.8
|
1.0
|
N
|
C:ASP221
|
4.2
|
47.8
|
1.0
|
CZ
|
C:ARG277
|
4.3
|
33.1
|
1.0
|
N
|
C:SER151
|
4.3
|
27.4
|
1.0
|
CA
|
C:SER152
|
4.4
|
29.2
|
1.0
|
CA
|
C:TYR222
|
4.5
|
39.8
|
1.0
|
CD2
|
C:TYR150
|
4.5
|
23.9
|
1.0
|
CB
|
C:TYR150
|
4.5
|
22.2
|
1.0
|
CG
|
C:ARG277
|
4.7
|
26.6
|
1.0
|
CD
|
C:ARG277
|
4.7
|
8.0
|
1.0
|
CA
|
C:GLY220
|
4.7
|
44.0
|
1.0
|
CB
|
C:SER151
|
4.7
|
30.9
|
1.0
|
C
|
C:GLY220
|
4.7
|
49.6
|
1.0
|
C
|
C:SER151
|
4.8
|
33.3
|
1.0
|
CA
|
C:ASP221
|
4.8
|
48.1
|
1.0
|
CA
|
C:SER151
|
4.8
|
28.0
|
1.0
|
C
|
C:ASP221
|
4.8
|
49.3
|
1.0
|
CB
|
C:ASP221
|
4.9
|
50.7
|
1.0
|
C
|
C:TYR150
|
4.9
|
28.3
|
1.0
|
|
Iodine binding site 10 out
of 10 in 5cnk
Go back to
Iodine Binding Sites List in 5cnk
Iodine binding site 10 out
of 10 in the MGLUR3 with Glutamate
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of MGLUR3 with Glutamate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I603
b:78.9
occ:1.00
|
OG1
|
C:THR98
|
3.2
|
73.2
|
1.0
|
N
|
C:SER149
|
3.5
|
24.3
|
1.0
|
CB
|
C:SER149
|
3.6
|
24.6
|
1.0
|
CG2
|
C:VAL153
|
3.6
|
27.1
|
1.0
|
N
|
C:TYR150
|
3.7
|
22.4
|
1.0
|
CG2
|
C:THR98
|
3.8
|
68.1
|
1.0
|
CG1
|
C:VAL153
|
3.8
|
27.0
|
1.0
|
CB
|
C:THR98
|
3.8
|
68.4
|
1.0
|
CD1
|
C:TYR150
|
3.9
|
23.9
|
1.0
|
CB
|
C:PRO46
|
3.9
|
20.4
|
1.0
|
CD
|
C:PRO46
|
3.9
|
18.9
|
1.0
|
CA
|
C:SER149
|
4.0
|
23.1
|
1.0
|
CG
|
C:PRO46
|
4.0
|
23.4
|
1.0
|
N
|
C:PRO46
|
4.0
|
18.3
|
1.0
|
CB
|
C:VAL153
|
4.3
|
27.6
|
1.0
|
C
|
C:SER149
|
4.4
|
26.2
|
1.0
|
CA
|
C:PRO46
|
4.4
|
19.2
|
1.0
|
CB
|
C:TYR150
|
4.5
|
22.2
|
1.0
|
OG
|
C:SER149
|
4.5
|
31.3
|
1.0
|
C
|
C:PHE45
|
4.5
|
24.6
|
1.0
|
C
|
C:GLY148
|
4.5
|
29.1
|
1.0
|
CA
|
C:GLY148
|
4.6
|
29.0
|
1.0
|
CG
|
C:TYR150
|
4.7
|
22.6
|
1.0
|
CA
|
C:TYR150
|
4.7
|
22.1
|
1.0
|
O
|
C:LEU44
|
4.7
|
30.7
|
1.0
|
CE1
|
C:TYR150
|
4.7
|
26.1
|
1.0
|
CA
|
C:PHE45
|
4.9
|
25.3
|
1.0
|
O
|
C:TYR150
|
5.0
|
28.2
|
1.0
|
|
Reference:
J.A.Monn,
L.Prieto,
L.Taboada,
J.Hao,
M.R.Reinhard,
S.S.Henry,
C.D.Beadle,
L.Walton,
T.Man,
H.Rudyk,
B.Clark,
D.Tupper,
S.R.Baker,
C.Lamas,
C.Montero,
A.Marcos,
J.Blanco,
M.Bures,
D.K.Clawson,
S.Atwell,
F.Lu,
J.Wang,
M.Russell,
B.A.Heinz,
X.Wang,
J.H.Carter,
B.G.Getman,
J.T.Catlow,
S.Swanson,
B.G.Johnson,
D.B.Shaw,
D.L.Mckinzie.
Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl) -Substituted-2-Aminobicyclo[3.1.0]Hexane-2,6-Dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-Triazol-3-Ylsulfanyl) Bicyclo[3.1.0]Hexane-2,6-Dicarboxylic Acid (LY2812223), A Highly Potent, Functionally Selective MGLU2 Receptor Agonist. J.Med.Chem. V. 58 7526 2015.
ISSN: ISSN 0022-2623
PubMed: 26313429
DOI: 10.1021/ACS.JMEDCHEM.5B01124
Page generated: Sun Aug 11 20:39:00 2024
|