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
ADA1D_HUMAN
20
39%
0.245
PF00001
235 -
(0)
1
- / - / -
0
101
BAI1_HUMAN
12
64%
0.409
PF00090
13 -
(0)
1
- / - / -
0
102
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
103
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
104
SSR1_HUMAN
20
47%
0.384
PF00001
C5_S1
75 -
(0)
1
- / - /
1
0
105
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
106
HRH2_HUMAN
21
38%
0.299
PF00001
237 -
(0)
1
- / - / -
0
107
AGRL3_HUMAN
23
100%
0.534
PF02140
C2_S1
13 -
(0)
1
1
/ - /
3
0
108
OR5F1_HUMAN
11
40%
0.355
PF00001
44 -
(0)
?
- / - / -
0
109
CX3C1_HUMAN
20
38%
0.310
PF00001
57 -
(0)
?
- / - / -
0
110
AGRE3_HUMAN
7
51%
0.501
PF00089
0 -
(0)
?
- / - / -
0
111
O10S1_HUMAN
13
40%
0.251
PF00001
52 -
(0)
?
- / - / -
0
112
CCKAR_HUMAN
17
39%
0.247
PF10413
37 -
(0)
?
- / - / -
0
113
PD2R_HUMAN
13
29%
0.349
PF00001
28 -
(0)
?
- / - / -
0
114
OR2M7_HUMAN
4
29%
0.330
PF00001
42 -
(0)
?
- / - / -
0
115
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
116
O52E6_HUMAN
6
41%
0.182
PF00001
57 -
(0)
?
- / - / -
0
117
OR2G2_HUMAN
11
47%
0.247
PF00001
31 -
(0)
?
- / - / -
0
118
OR2H1_HUMAN
2
44%
0.235
PF10413
59 -
(0)
?
- / - / -
0
119
O52Z1_HUMAN
11
33%
0.218
PF00001
46 -
(0)
?
- / - / -
0
120
GHRHR_HUMAN
6
96%
0.408
PF02793
20 -
(0)
?
- / - / -
0
121
OR4C6_HUMAN
12
30%
0.304
PF00001
36 -
(0)
?
- / - / -
0
122
AGRE2_HUMAN
18
86%
0.354
PF00084
1 -
(0)
?
- / - / -
0
123
AGRF2_HUMAN
12
30%
0.287
PF00001
13 -
(0)
?
- / - / -
0
124
LPAR5_HUMAN
20
32%
0.313
PF00001
58 -
(0)
?
- / - / -
0
125
O51F2_HUMAN
6
26%
0.199
PF00001
44 -
(0)
?
- / - / -
0
126
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
127
OR1A1_HUMAN
5
33%
0.215
PF00001
58 -
(0)
?
- / - / -
0
128
RAI3_HUMAN
0
20%
-0.119
PF00959
1 -
(0)
?
- / - / -
0
129
O11A1_HUMAN
0
31%
0.304
PF00001
109 -
(0)
?
- / - / -
0
130
OR6N2_HUMAN
9
37%
0.342
PF00001
33 -
(0)
?
- / - / -
0
131
OR4D6_HUMAN
6
31%
0.257
PF00001
39 -
(0)
?
- / - / -
0
132
O2T34_HUMAN
4
43%
0.365
PF10413
45 -
(0)
?
- / - / -
0
133
ACKR2_HUMAN
20
39%
0.363
PF00001
48 -
(0)
?
- / - / -
0
134
OR4D1_HUMAN
3
32%
0.302
PF00001
28 -
(0)
?
- / - / -
0
135
ETBR2_HUMAN
12
38%
0.182
PF00001
37 -
(0)
?
- / - / -
0
136
T2R13_HUMAN
11
31%
0.152
PF00001
13 -
(0)
?
- / - / -
0
137
OX2R_HUMAN
20
100%
0.299
PF00001
93 -
(0)
?
- / - / -
0
138
MAS_HUMAN
13
32%
0.204
PF00001
40 -
(0)
?
- / - / -
0
139
GP135_HUMAN
20
35%
0.287
PF10413
28 -
(0)
?
- / - / -
0
140
OR2B8_HUMAN
5
48%
0.280
PF10413
37 -
(0)
?
- / - / -
0
141
O11HC_HUMAN
6
40%
0.295
PF00001
36 -
(0)
?
- / - / -
0
142
OR4X2_HUMAN
9
57%
0.356
PF00001
47 -
(0)
?
- / - / -
0
143
O13C8_HUMAN
4
40%
0.160
PF10413
62 -
(0)
?
- / - / -
0
144
GRPR_HUMAN
20
36%
0.216
PF00001
39 -
(0)
?
- / - / -
0
145
O11G2_HUMAN
13
38%
0.235
PF00001
35 -
(0)
?
- / - / -
0
146
LGR6_HUMAN
19
62%
0.388
PF01462
29 -
(0)
?
- / - / -
0
147
T2R46_HUMAN
7
33%
0.277
PF00001
21 -
(0)
?
- / - / -
0
148
GPR78_HUMAN
10
31%
0.280
PF00001
81 -
(0)
?
- / - / -
0
149
O10AD_HUMAN
8
41%
0.195
PF00001
45 -
(0)
?
- / - / -
0
150
AGRF1_HUMAN
8
37%
0.349
PF00001
11 -
(0)
?
- / - / -
0
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