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
O14L1_HUMAN
7
31%
0.310
PF00001
34 -
(0)
?
- / - / -
0
101
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
102
AGRG5_HUMAN
11
31%
0.274
PF00001
7 -
(0)
?
- / - / -
0
103
OR8G1_HUMAN
6
31%
0.292
PF00001
57 -
(0)
?
- / - / -
0
104
OR8G2_HUMAN
9
27%
0.290
PF00001
42 -
(0)
?
- / - / -
0
105
GPR39_HUMAN
19
38%
0.291
PF10413
27 -
(0)
?
- / - / -
0
106
SSR2_HUMAN
23
44%
0.317
PF00001
203 -
(0)
4
- / - / -
0
107
OR7AA_HUMAN
11
42%
0.276
PF00001
43 -
(0)
?
- / - / -
0
108
OR4A4_HUMAN
6
46%
0.243
PF10413
28 -
(0)
?
- / - / -
0
109
RXFP1_HUMAN
20
37%
0.281
PF13855
14 -
(0)
?
- / - / -
0
110
O10J4_HUMAN
6
31%
0.257
PF10413
47 -
(0)
?
- / - / -
0
111
AGRG2_HUMAN
13
30%
0.149
PF00001
15 -
(0)
?
- / - / -
0
112
MRGX3_HUMAN
11
36%
0.176
PF00001
55 -
(0)
?
- / - / -
0
113
O56B1_HUMAN
12
37%
0.304
PF00001
44 -
(0)
?
- / - / -
0
114
OR4KH_HUMAN
3
40%
0.257
PF10413
34 -
(0)
?
- / - / -
0
115
HCAR1_HUMAN
19
31%
0.159
PF00001
66 -
(0)
?
- / - / -
0
116
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
117
MC5R_HUMAN
20
40%
0.387
PF00001
88 -
(0)
2
- / - / -
0
118
GABR2_HUMAN
20
100%
0.488
PF07562
48 -
(0)
?
- / - / -
0
119
FPR1_HUMAN
20
41%
0.302
PF00001
56 -
(0)
?
- / - / -
0
120
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
121
LT4R2_HUMAN
17
36%
0.291
PF00001
42 -
(0)
?
- / - / -
0
122
O51I2_HUMAN
11
36%
0.270
PF00001
57 -
(0)
?
- / - / -
0
123
FZD8_HUMAN
14
100%
0.566
PF01392
13 -
(0)
?
- / - / -
0
124
OR4CB_HUMAN
6
38%
0.283
PF00001
42 -
(0)
?
- / - / -
0
125
O12D3_HUMAN
6
43%
0.288
PF00001
31 -
(0)
?
- / - / -
0
126
OR2V2_HUMAN
6
30%
0.253
PF00001
50 -
(0)
?
- / - / -
0
127
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
128
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
129
GALR1_HUMAN
20
40%
0.247
PF00001
117 -
(0)
2
- / - / -
0
130
O52L1_HUMAN
11
29%
0.299
PF00001
45 -
(0)
?
- / - / -
0
131
GPR42_HUMAN
16
35%
0.304
PF00001
37 -
(0)
?
- / - / -
0
132
O14AG_HUMAN
4
33%
0.302
PF10413
44 -
(0)
?
- / - / -
0
133
OR2I1_HUMAN
5
37%
0.257
PF10413
49 -
(0)
?
- / - / -
0
134
NK1R_HUMAN
20
100%
0.245
PF00001
52 -
(0)
?
- / - / -
0
135
OR6S1_HUMAN
6
34%
0.335
PF00001
36 -
(0)
?
- / - / -
0
136
O2T33_HUMAN
6
27%
0.274
PF00001
41 -
(0)
?
- / - / -
0
137
OR4N2_HUMAN
3
37%
0.318
PF10413
41 -
(0)
?
- / - / -
0
138
GHSR_HUMAN
20
37%
0.370
PF00001
77 -
(0)
1
- / - / -
0
139
OR3A3_HUMAN
12
46%
0.235
PF00001
47 -
(0)
?
- / - / -
0
140
OR2A1_HUMAN
10
44%
0.322
PF00001
42 -
(0)
?
- / - / -
0
141
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
142
OR5BH_HUMAN
6
40%
0.329
PF00001
27 -
(0)
?
- / - / -
0
143
GP143_HUMAN
12
21%
0.286
PF00001
14 -
(0)
?
- / - / -
0
144
OR5H1_HUMAN
13
31%
0.315
PF00001
36 -
(0)
?
- / - / -
0
145
OR1I1_HUMAN
13
37%
0.301
PF00001
55 -
(0)
?
- / - / -
0
146
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
147
GPR18_HUMAN
18
29%
0.288
PF00001
56 -
(0)
?
- / - / -
0
148
O10G6_HUMAN
13
38%
0.291
PF00001
30 -
(0)
?
- / - / -
0
149
OR5BC_HUMAN
6
36%
0.297
PF00001
36 -
(0)
?
- / - / -
0
150
LPAR3_HUMAN
20
54%
0.311
PF00001
44 -
(0)
?
- / - / -
0
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