Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
GPCR_HUMAN_201601 (GPCR_HUMAN - Jan 2016)
Download :
Data.csv
|
3D Models
Tab legend :
Full name of ligand selected in the comparative docking column:
General color information :
Quality: [
Good
|
Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
Y01 - [nb=81] --> CHOLESTEROL HEMISUCCINATE
GLU - [nb=49] --> GLUTAMIC ACID
CHAIN - [nb=31] --> Distinctin chain B
2CV - [nb=30] --> HEGA-10
SOG - [nb=24] --> .....AHYDRO-PYRAN-3,4,5-TRIOL)
Z99 - [nb=22] --> .....H-XANTHEN-9-YL)-D-ALANINE
52Q - [nb=22] --> .....ane-2,6-dicarboxylic acid
D10 - [nb=17] --> DECANE
OLC - [nb=16] --> .....PYL (9Z)-OCTADEC-9-ENOATE
C5A - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
C5B - [nb=15] --> .....ANE-1,3-DICARBOXYLIC ACID
52A - [nb=15] --> .....INE-2,4-DICARBOXYLIC ACID
40H - [nb=13] --> .....ne]-4,6-dicarboxylic acid
2CG - [nb=13] --> .....ANE-1,2-DICARBOXYLIC ACID
NAG - [nb=12] --> ..... (N-ACETYL-D-GLUCOSAMINE)
GGL - [nb=12] --> GAMMA-L-GLUTAMIC ACID
CLR - [nb=12] --> CHOLESTEROL
STE - [nb=10] --> STEARIC ACID
OLA - [nb=7] --> OLEIC ACID
0HK - [nb=6] --> .....cyclo[3.3.1.0~2,4~]nonane
OLB - [nb=6] --> .....PYL (9Z)-OCTADEC-9-ENOATE
HTO - [nb=6] --> HEPTANE-1,2,3-TRIOL
40F - [nb=5] --> .....ane-2,6-dicarboxylic acid
ML5 - [nb=5] --> .....-OXOBUTYL}PHOSPHONIC ACID
0NN - [nb=4] --> .....-YL)PROPYL]-D-PROLINAMIDE
MRV - [nb=4] --> .....YL]CYCLOHEXANECARBOXAMIDE
RAA - [nb=4] --> SUGAR (ALPHA-RHAMNOSE)
3C0 - [nb=4] --> N-methyl scopolamine
PGW - [nb=3] --> .....HYL (9Z)-OCTADEC-9-ENOATE
MES - [nb=3] --> .....LINO)-ETHANESULFONIC ACID
QNB - [nb=3] --> ..... HYDROXY(DIPHENYL)ACETATE
ITD - [nb=2] --> .....LOHEXYLIMIDOTHIOCARBAMATE
2ID - [nb=2] --> .....thyl dihydrogen phosphate
BNG - [nb=2] --> SUGAR (B-NONYLGLUCOSIDE)
RAM - [nb=2] --> SUGAR (ALPHA-L-RHAMNOSE)
4VO - [nb=2] --> .....naphtho[2,1-g]indol-10-ol
3N6 - [nb=2] --> .....]CARBONYL}-D-TYROSINAMIDE
MCG - [nb=2] --> .....YL-4-CARBOXYPHENYLGLYCINE
1Q5 - [nb=2] --> .....YLPHENOXY)PYRIDIN-4-AMINE
2BQ - [nb=1] --> 2-HYDROXYSACLOFEN
2BX - [nb=1] --> .....ORPHOLIN-2-YL]ACETIC ACID
1PE - [nb=1] --> PENTAETHYLENE GLYCOL
2BY - [nb=1] --> PHACLOFEN
2C0 - [nb=1] --> BACLOFEN
2BV - [nb=1] --> .....OXYPROPYL]PHOSPHINIC ACID
4E6 - [nb=1] --> .....6E)-HEXADECA-1,4,6-TRIENE
ABU - [nb=1] --> GAMMA-AMINO-BUTANOIC ACID
N7R - [nb=1] --> .....)PIPERIDINE-1-CARBOXAMIDE
PLM - [nb=1] --> PALMITIC ACID
1KS - [nb=1] --> .....TRIFLUOROMETHYL)BENZAMIDE
381 - [nb=1] --> .....XYLMETHYL)PHOSPHINIC ACID
EJ4 - [nb=1] --> .....B]CARBAZOLE-1,8A(9H)-DIOL
5EH - [nb=1] --> .....,N-DIMETHYLPROPAN-1-AMINE
2BW - [nb=1] --> .....OXYMETHYL)PHOSPHINIC ACID
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
GRM4_HUMAN
28
68%
0.539
PF07562
C1_S1
44 -
(0)
19
- /
4
/
18
10
2
GRM6_HUMAN
30
66%
0.493
PF07562
C1_S1
43 -
(0)
20
- /
4
/
20
10
3
GRM8_HUMAN
32
71%
0.523
PF07562
C2_S1
45 -
(0)
20
- /
4
/
21
10
4
GRM7_HUMAN
25
99%
0.569
PF07562
C1_S1
44 -
(0)
19
- /
3
/
19
10
5
GRM2_HUMAN
32
99%
0.550
PF07562
C1_S1
47 -
(0)
20
- /
7
/
23
10
6
GRM3_HUMAN
35
99%
0.507
PF07562
C1_S1
37 -
(0)
17
- /
6
/
18
9
7
GABR1_HUMAN
20
100%
0.579
PF01094
C3_S1
32 -
(0)
8
- /
2
/
6
8
8
GRM5_HUMAN
27
99%
0.555
PF07562
C1_S1
37 -
(0)
11
- /
3
/
10
7
9
GRM1_HUMAN
26
99%
0.555
PF07562
C1_S1
35 -
(0)
11
- /
3
/
10
7
10
CASR_HUMAN
24
35%
0.459
PF07562
C2_S1
37 -
(0)
15
- / - /
13
6
11
ACM4_HUMAN
20
84%
0.218
PF00001
C5_S1
55 -
(0)
5
- /
6
/ -
3
12
ACM1_HUMAN
20
63%
0.264
PF00001
C3_S1
43 -
(0)
6
- /
7
/ -
3
13
CALCR_HUMAN
9
65%
0.408
PF02793
C4_S1
7 -
(0)
3
- /
3
/ -
2
14
OPRK_HUMAN
20
98%
0.361
PF00001
C2_S1
57 -
(0)
4
- /
3
/
5
2
15
ACM5_HUMAN
20
78%
0.220
PF00001
C2_S1
47 -
(0)
1
- /
1
/ -
1
16
P2RY1_HUMAN
20
97%
0.236
PF00001
C1_S1
52 -
(0)
2
- /
2
/
1
1
17
CCR5_HUMAN
20
85%
0.306
PF00001
C2_S1
54 -
(0)
2
2
/ - / -
1
18
ADRB1_HUMAN
32
86%
0.414
PF00001
C3_S1
191 -
(0)
7
- /
6
/
16
1
19
OPRX_HUMAN
20
98%
0.393
PF00001
C3_S1
60 -
(0)
2
- /
3
/
1
1
20
CCR1_HUMAN
20
48%
0.353
PF00001
C2_S1
62 -
(0)
2
2
/ - / -
1
21
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
22
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
23
O52D1_HUMAN
1
31%
0.288
PF00001
66 -
(0)
?
- / - / -
0
24
O10G6_HUMAN
13
38%
0.291
PF00001
30 -
(0)
?
- / - / -
0
25
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
26
O5AK2_HUMAN
12
27%
0.261
PF00001
35 -
(0)
?
- / - / -
0
27
OR2LD_HUMAN
11
41%
0.257
PF00001
55 -
(0)
?
- / - / -
0
28
O2T29_HUMAN
7
45%
0.214
PF00001
65 -
(0)
?
- / - / -
0
29
O5AP2_HUMAN
5
40%
0.301
PF00001
35 -
(0)
?
- / - / -
0
30
DRD5_HUMAN
34
40%
0.330
PF00001
C5_S1
196 -
(0)
10
- / - /
24
0
31
AGRG7_HUMAN
12
26%
0.159
PF00001
7 -
(0)
?
- / - / -
0
32
O52N4_HUMAN
8
33%
0.157
PF00001
32 -
(0)
?
- / - / -
0
33
OR4DB_HUMAN
13
28%
0.252
PF00001
27 -
(0)
?
- / - / -
0
34
NK3R_HUMAN
20
70%
0.259
PF00001
33 -
(0)
?
- / - / -
0
35
SSR4_HUMAN
20
47%
0.414
PF00001
C6_S1
223 -
(0)
5
- / - /
4
0
36
PE2R2_HUMAN
13
29%
0.386
PF00001
85 -
(0)
?
- / - / -
0
37
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
38
FZD6_HUMAN
20
39%
0.290
PF01392
20 -
(0)
?
- / - / -
0
39
GLP2R_HUMAN
7
51%
0.298
PF00001
20 -
(0)
?
- / - / -
0
40
OR1Q1_HUMAN
8
33%
0.198
PF00001
46 -
(0)
?
- / - / -
0
41
GPR34_HUMAN
19
41%
0.266
PF12109
53 -
(0)
?
- / - / -
0
42
OR1N1_HUMAN
5
35%
0.260
PF00001
55 -
(0)
?
- / - / -
0
43
OR4K3_HUMAN
6
41%
0.230
PF10413
41 -
(0)
?
- / - / -
0
44
O2T12_HUMAN
6
26%
0.275
PF00001
37 -
(0)
?
- / - / -
0
45
OR2Z1_HUMAN
5
30%
0.239
PF00001
50 -
(0)
?
- / - / -
0
46
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
47
AGRA1_HUMAN
11
28%
0.068
PF00001
14 -
(0)
?
- / - / -
0
48
PRLHR_HUMAN
20
37%
0.335
PF00001
C5_S1
84 -
(0)
2
- / - /
1
0
49
GALR1_HUMAN
20
40%
0.247
PF00001
117 -
(0)
2
- / - / -
0
50
OR1A2_HUMAN
6
31%
0.259
PF00001
51 -
(0)
?
- / - / -
0
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