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]
100
CXCR4_HUMAN
20
99%
0.277
PF00001
C5_S1
55 -
(0)
?
- / - /
2
0
101
CXCR5_HUMAN
20
41%
0.285
PF00001
64 -
(0)
?
- / - / -
0
102
CXCR6_HUMAN
20
47%
0.284
PF00001
73 -
(0)
?
- / - / -
0
103
DRD1_HUMAN
33
41%
0.354
PF00001
C6_S1
214 -
(0)
10
- / - /
21
0
104
DRD2_HUMAN
20
70%
0.316
PF00001
143 -
(0)
?
- / - / -
0
105
DRD3_HUMAN
12
100%
0.299
PF00001
126 -
(0)
?
- / - / -
0
106
DRD4_HUMAN
20
51%
0.232
PF00001
152 -
(0)
?
- / - / -
0
107
DRD5_HUMAN
34
40%
0.330
PF00001
C5_S1
196 -
(0)
10
- / - /
24
0
108
EDNRA_HUMAN
14
31%
0.237
PF00001
42 -
(0)
?
- / - / -
0
109
EDNRB_HUMAN
20
44%
0.337
PF00001
41 -
(0)
?
- / - / -
0
110
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
111
FFAR1_HUMAN
13
98%
0.366
PF10413
80 -
(0)
?
- / - / -
0
112
FFAR2_HUMAN
11
33%
0.268
PF00001
42 -
(0)
?
- / - / -
0
113
FFAR3_HUMAN
14
34%
0.286
PF00001
39 -
(0)
?
- / - / -
0
114
FFAR4_HUMAN
6
33%
0.268
PF10413
48 -
(0)
?
- / - / -
0
115
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
116
FPR2_HUMAN
20
35%
0.227
PF00001
58 -
(0)
?
- / - / -
0
117
FPR3_HUMAN
17
33%
0.228
PF00001
C2_S1
52 -
(0)
1
- / - /
1
0
118
FSHR_HUMAN
9
23%
0.275
PF10413
22 -
(0)
?
- / - / -
0
119
FZD10_HUMAN
17
52%
0.615
PF01392
C6_S1
15 -
(0)
2
- / - /
1
0
120
FZD1_HUMAN
19
55%
0.444
PF01392
C4_S1
12 -
(0)
2
- / - /
5
0
121
FZD2_HUMAN
18
57%
0.435
PF01392
C5_S1
14 -
(0)
2
- / - /
3
0
122
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
123
FZD4_HUMAN
16
100%
0.551
PF01392
12 -
(0)
2
- / - / -
0
124
FZD5_HUMAN
21
83%
0.220
PF01392
C2_S1
13 -
(0)
3
- / - /
3
0
125
FZD6_HUMAN
20
39%
0.290
PF01392
20 -
(0)
?
- / - / -
0
126
FZD7_HUMAN
13
56%
0.467
PF01392
13 -
(0)
?
- / - / -
0
127
FZD8_HUMAN
14
100%
0.566
PF01392
13 -
(0)
?
- / - / -
0
128
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
129
G32P1_HUMAN
13
32%
0.229
PF00001
36 -
(0)
?
- / - / -
0
130
GABR1_HUMAN
20
100%
0.579
PF01094
C3_S1
32 -
(0)
8
- /
2
/
6
8
131
GABR2_HUMAN
20
100%
0.488
PF07562
48 -
(0)
?
- / - / -
0
132
GALR1_HUMAN
20
40%
0.247
PF00001
117 -
(0)
2
- / - / -
0
133
GALR2_HUMAN
20
43%
0.320
PF00001
92 -
(0)
?
- / - / -
0
134
GALR3_HUMAN
20
35%
0.229
PF00001
76 -
(0)
?
- / - / -
0
135
GASR_HUMAN
13
30%
0.241
PF00001
20 -
(0)
?
- / - / -
0
136
GHRHR_HUMAN
6
96%
0.408
PF02793
20 -
(0)
?
- / - / -
0
137
GHSR_HUMAN
20
37%
0.370
PF00001
77 -
(0)
1
- / - / -
0
138
GIPR_HUMAN
10
59%
0.352
PF00001
C3_S1
15 -
(0)
?
- / - /
1
0
139
GLP1R_HUMAN
8
100%
0.622
PF02793
C5_S1
16 -
(0)
?
- /
1
/ -
0
140
GLP2R_HUMAN
7
51%
0.298
PF00001
20 -
(0)
?
- / - / -
0
141
GLR_HUMAN
10
99%
0.321
PF00001
C3_S1
16 -
(0)
2
- /
1
/
1
0
142
GNRHR_HUMAN
4
40%
0.251
PF00001
68 -
(0)
?
- / - / -
0
143
GNRR2_HUMAN
8
37%
0.217
PF00001
46 -
(0)
?
- / - / -
0
144
GP101_HUMAN
20
36%
0.166
PF00001
41 -
(0)
?
- / - / -
0
145
GP119_HUMAN
20
38%
0.438
PF00001
123 -
(0)
?
- / - / -
0
146
GP124_HUMAN
18
41%
0.268
PF01582
30 -
(0)
?
- / - / -
0
147
GP126_HUMAN
7
33%
0.408
PF00089
4 -
(0)
?
- / - / -
0
148
GP132_HUMAN
19
39%
0.243
PF00001
48 -
(0)
?
- / - / -
0
149
GP135_HUMAN
20
35%
0.287
PF10413
28 -
(0)
?
- / - / -
0
150
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
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