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
SSR1_HUMAN
20
47%
0.384
PF00001
C5_S1
75 -
(0)
1
- / - /
1
0
101
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
102
HCAR3_HUMAN
17
35%
0.217
PF00001
C1_S1
52 -
(0)
1
- / - /
1
0
103
CXCR2_HUMAN
20
87%
0.267
PF00001
71 -
(0)
1
- / - / -
0
104
PKR1_HUMAN
20
35%
0.257
PF00001
66 -
(0)
1
- / - / -
0
105
PSYR_HUMAN
20
32%
0.265
PF00001
62 -
(0)
1
- / - / -
0
106
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
107
ACM2_HUMAN
19
97%
0.222
PF00001
C9_S1
106 -
(0)
1
- / - /
1
0
108
OR2G3_HUMAN
3
38%
0.316
PF10413
68 -
(0)
?
- / - / -
0
109
T2R13_HUMAN
11
31%
0.152
PF00001
13 -
(0)
?
- / - / -
0
110
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
111
TA2R_HUMAN
8
34%
0.375
PF00001
107 -
(0)
?
- / - / -
0
112
GP146_HUMAN
10
45%
0.272
PF00001
32 -
(0)
?
- / - / -
0
113
OR7C2_HUMAN
6
31%
0.217
PF00001
59 -
(0)
?
- / - / -
0
114
CXCR5_HUMAN
20
41%
0.285
PF00001
64 -
(0)
?
- / - / -
0
115
O51T1_HUMAN
12
39%
0.319
PF00001
47 -
(0)
?
- / - / -
0
116
CD97_HUMAN
18
85%
0.367
PF00084
1 -
(0)
?
- / - / -
0
117
O2AK2_HUMAN
13
30%
0.170
PF00001
39 -
(0)
?
- / - / -
0
118
MCHR2_HUMAN
20
41%
0.257
PF00001
87 -
(0)
?
- / - / -
0
119
OR6J1_HUMAN
12
31%
0.264
PF00001
43 -
(0)
?
- / - / -
0
120
O10T2_HUMAN
13
54%
0.287
PF00001
27 -
(0)
?
- / - / -
0
121
OR2H2_HUMAN
5
50%
0.265
PF10413
40 -
(0)
?
- / - / -
0
122
OR5L2_HUMAN
13
52%
0.306
PF00001
28 -
(0)
?
- / - / -
0
123
OR1FC_HUMAN
7
27%
0.156
PF00001
44 -
(0)
?
- / - / -
0
124
GPR75_HUMAN
13
33%
0.181
PF10413
19 -
(0)
?
- / - / -
0
125
OR2LD_HUMAN
11
41%
0.257
PF00001
55 -
(0)
?
- / - / -
0
126
TA2R3_HUMAN
11
23%
0.268
PF10413
23 -
(0)
?
- / - / -
0
127
GLP1R_HUMAN
8
100%
0.622
PF02793
C5_S1
16 -
(0)
?
- /
1
/ -
0
128
PE2R3_HUMAN
14
32%
0.338
PF00001
42 -
(0)
?
- / - / -
0
129
AGRA3_HUMAN
16
46%
0.387
PF01462
21 -
(0)
?
- / - / -
0
130
O51F2_HUMAN
6
26%
0.199
PF00001
44 -
(0)
?
- / - / -
0
131
T2R30_HUMAN
5
29%
0.254
PF00001
19 -
(0)
?
- / - / -
0
132
OR2T6_HUMAN
5
42%
0.311
PF10413
38 -
(0)
?
- / - / -
0
133
P2Y10_HUMAN
15
34%
0.207
PF00001
57 -
(0)
?
- / - / -
0
134
CLTR1_HUMAN
20
35%
0.277
PF00001
54 -
(0)
?
- / - / -
0
135
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
136
AGTR1_HUMAN
20
37%
0.303
PF00001
79 -
(0)
?
- / - / -
0
137
O14K1_HUMAN
5
47%
0.284
PF00001
69 -
(0)
?
- / - / -
0
138
O10J3_HUMAN
10
29%
0.089
PF00001
33 -
(0)
?
- / - / -
0
139
O56A3_HUMAN
8
50%
0.252
PF00001
55 -
(0)
?
- / - / -
0
140
O13G1_HUMAN
10
35%
0.245
PF10413
43 -
(0)
?
- / - / -
0
141
ACKR1_HUMAN
9
37%
0.170
PF00001
14 -
(0)
?
- / - / -
0
142
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
143
MCHR1_HUMAN
20
34%
0.279
PF00001
74 -
(0)
?
- / - / -
0
144
OR9G9_HUMAN
9
34%
0.329
PF00001
45 -
(0)
?
- / - / -
0
145
GP141_HUMAN
8
30%
0.358
PF00001
57 -
(0)
?
- / - / -
0
146
OPN5_HUMAN
20
35%
0.177
PF10413
117 -
(0)
?
- / - / -
0
147
MRGX1_HUMAN
12
35%
0.214
PF00001
36 -
(0)
?
- / - / -
0
148
TS1R3_HUMAN
20
33%
0.443
PF07562
31 -
(0)
?
- / - / -
0
149
T2R19_HUMAN
11
19%
0.230
PF00001
11 -
(0)
?
- / - / -
0
150
OR3A2_HUMAN
4
45%
0.153
PF00001
78 -
(0)
?
- / - / -
0
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