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
GPR22_HUMAN
9
38%
0.208
PF00001
37 -
(0)
?
- / - / -
0
101
O10V1_HUMAN
2
54%
0.251
PF00001
38 -
(0)
?
- / - / -
0
102
P2RY1_HUMAN
20
97%
0.236
PF00001
C1_S1
52 -
(0)
2
- /
2
/
1
1
103
CLTR1_HUMAN
20
35%
0.277
PF00001
54 -
(0)
?
- / - / -
0
104
GP174_HUMAN
16
33%
0.262
PF00001
73 -
(0)
?
- / - / -
0
105
OGR1_HUMAN
20
36%
0.249
PF00001
50 -
(0)
?
- / - / -
0
106
AGTR1_HUMAN
20
37%
0.303
PF00001
79 -
(0)
?
- / - / -
0
107
AGTR2_HUMAN
20
34%
0.358
PF00001
66 -
(0)
3
- / - / -
0
108
APJ_HUMAN
20
33%
0.135
PF00001
55 -
(0)
?
- / - / -
0
109
UR2R_HUMAN
19
34%
0.380
PF00001
64 -
(0)
?
- / - / -
0
110
OR5K1_HUMAN
11
29%
0.306
PF00001
26 -
(0)
?
- / - / -
0
111
O51B4_HUMAN
13
37%
0.277
PF00001
50 -
(0)
?
- / - / -
0
112
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
113
OR1F1_HUMAN
7
27%
0.328
PF00001
37 -
(0)
?
- / - / -
0
114
OR4K5_HUMAN
6
31%
0.230
PF00001
50 -
(0)
?
- / - / -
0
115
OR8J1_HUMAN
13
30%
0.266
PF00001
35 -
(0)
?
- / - / -
0
116
OR9G9_HUMAN
9
34%
0.329
PF00001
45 -
(0)
?
- / - / -
0
117
G32P1_HUMAN
13
32%
0.229
PF00001
36 -
(0)
?
- / - / -
0
118
O10D4_HUMAN
12
33%
0.262
PF00001
53 -
(0)
?
- / - / -
0
119
O10H4_HUMAN
13
32%
0.323
PF00001
36 -
(0)
?
- / - / -
0
120
O52A1_HUMAN
5
31%
0.299
PF00001
29 -
(0)
?
- / - / -
0
121
O52K2_HUMAN
10
35%
0.377
PF00001
42 -
(0)
?
- / - / -
0
122
OR1E1_HUMAN
5
27%
0.344
PF00001
40 -
(0)
?
- / - / -
0
123
OR1E3_HUMAN
8
31%
0.287
PF00001
42 -
(0)
?
- / - / -
0
124
OR1J4_HUMAN
7
33%
0.330
PF00001
49 -
(0)
?
- / - / -
0
125
OR1S2_HUMAN
9
46%
0.226
PF00001
41 -
(0)
?
- / - / -
0
126
OR5DE_HUMAN
13
52%
0.293
PF00001
36 -
(0)
?
- / - / -
0
127
OR5H6_HUMAN
11
38%
0.315
PF00001
31 -
(0)
?
- / - / -
0
128
OR5T2_HUMAN
7
31%
0.320
PF00001
42 -
(0)
?
- / - / -
0
129
OR8BC_HUMAN
13
33%
0.175
PF00001
34 -
(0)
?
- / - / -
0
130
OR5K2_HUMAN
13
48%
0.243
PF00001
34 -
(0)
?
- / - / -
0
131
OR8B4_HUMAN
11
28%
0.247
PF00001
42 -
(0)
?
- / - / -
0
132
OR8S1_HUMAN
11
39%
0.272
PF00001
29 -
(0)
?
- / - / -
0
133
O2A12_HUMAN
4
36%
0.338
PF00001
46 -
(0)
?
- / - / -
0
134
O2T12_HUMAN
6
26%
0.275
PF00001
37 -
(0)
?
- / - / -
0
135
OR2G2_HUMAN
11
47%
0.247
PF00001
31 -
(0)
?
- / - / -
0
136
OR2M7_HUMAN
4
29%
0.330
PF00001
42 -
(0)
?
- / - / -
0
137
OR2W5_HUMAN
10
28%
0.198
PF00001
53 -
(0)
?
- / - / -
0
138
OR5M3_HUMAN
9
42%
0.295
PF00001
50 -
(0)
?
- / - / -
0
139
OR5W2_HUMAN
11
38%
0.298
PF00001
32 -
(0)
?
- / - / -
0
140
OR6N1_HUMAN
5
37%
0.405
PF00001
51 -
(0)
?
- / - / -
0
141
OR2T2_HUMAN
5
37%
0.328
PF00001
25 -
(0)
?
- / - / -
0
142
OR4Q3_HUMAN
3
36%
0.358
PF00001
39 -
(0)
?
- / - / -
0
143
OR5C1_HUMAN
13
31%
0.302
PF00001
24 -
(0)
?
- / - / -
0
144
GP183_HUMAN
20
33%
0.263
PF00001
51 -
(0)
?
- / - / -
0
145
OR2M2_HUMAN
7
50%
0.292
PF00001
38 -
(0)
?
- / - / -
0
146
OR4D9_HUMAN
10
32%
0.236
PF00001
35 -
(0)
?
- / - / -
0
147
OR5L2_HUMAN
13
52%
0.306
PF00001
28 -
(0)
?
- / - / -
0
148
OR8D2_HUMAN
11
31%
0.248
PF00001
51 -
(0)
?
- / - / -
0
149
XCR1_HUMAN
20
35%
0.313
PF00001
56 -
(0)
?
- / - / -
0
150
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
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