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
GPR62_HUMAN
10
39%
0.361
PF00001
40 -
(0)
?
- / - / -
0
101
OPRK_HUMAN
20
98%
0.361
PF00001
C2_S1
57 -
(0)
4
- /
3
/
5
2
102
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
103
GPBAR_HUMAN
14
31%
0.359
PF10413
17 -
(0)
?
- / - / -
0
104
OPSD_HUMAN
26
93%
0.359
PF10413
C8_S1
24 -
(0)
5
- / - /
3
0
105
GP141_HUMAN
8
30%
0.358
PF00001
57 -
(0)
?
- / - / -
0
106
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
107
OR4Q3_HUMAN
3
36%
0.358
PF00001
39 -
(0)
?
- / - / -
0
108
AGTR2_HUMAN
20
34%
0.358
PF00001
66 -
(0)
3
- / - / -
0
109
GP152_HUMAN
14
37%
0.357
PF00001
55 -
(0)
?
- / - / -
0
110
OR2T3_HUMAN
4
45%
0.357
PF00001
44 -
(0)
?
- / - / -
0
111
5HT2A_HUMAN
30
57%
0.356
PF00001
C6_S1
185 -
(0)
7
- / - /
6
0
112
CCR3_HUMAN
20
46%
0.356
PF00001
C3_S1
63 -
(0)
2
- / - /
1
0
113
5HT2C_HUMAN
36
47%
0.356
PF00001
C4_S1
220 -
(0)
8
- /
1
/
16
0
114
O2T11_HUMAN
3
38%
0.356
PF00001
83 -
(0)
?
- / - / -
0
115
OR4X2_HUMAN
9
57%
0.356
PF00001
47 -
(0)
?
- / - / -
0
116
O5AU1_HUMAN
13
33%
0.356
PF00001
28 -
(0)
?
- / - / -
0
117
MTLR_HUMAN
20
42%
0.355
PF00001
133 -
(0)
?
- / - / -
0
118
CNR2_HUMAN
20
37%
0.355
PF00001
99 -
(0)
2
- / - / -
0
119
OR8U1_HUMAN
10
39%
0.355
PF00001
45 -
(0)
?
- / - / -
0
120
OR5F1_HUMAN
11
40%
0.355
PF00001
44 -
(0)
?
- / - / -
0
121
DRD1_HUMAN
33
41%
0.354
PF00001
C6_S1
214 -
(0)
10
- / - /
21
0
122
AGRE2_HUMAN
18
86%
0.354
PF00084
1 -
(0)
?
- / - / -
0
123
CCR1_HUMAN
20
48%
0.353
PF00001
C2_S1
62 -
(0)
2
2
/ - / -
1
124
AGRB2_HUMAN
8
55%
0.353
PF00090
9 -
(0)
1
- / - / -
0
125
O14I1_HUMAN
12
34%
0.352
PF10413
33 -
(0)
?
- / - / -
0
126
GIPR_HUMAN
10
59%
0.352
PF00001
C3_S1
15 -
(0)
?
- / - /
1
0
127
AA3R_HUMAN
20
43%
0.351
PF00001
C2_S1
71 -
(0)
1
- / - /
1
0
128
5HT5A_HUMAN
20
56%
0.350
PF00001
84 -
(0)
?
- / - / -
0
129
VIPR2_HUMAN
9
46%
0.350
PF00001
15 -
(0)
1
- / - / -
0
130
PD2R_HUMAN
13
29%
0.349
PF00001
28 -
(0)
?
- / - / -
0
131
O10P1_HUMAN
6
76%
0.349
PF00001
28 -
(0)
?
- / - / -
0
132
AGRF1_HUMAN
8
37%
0.349
PF00001
11 -
(0)
?
- / - / -
0
133
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
134
OR1D4_HUMAN
7
38%
0.348
PF00001
56 -
(0)
?
- / - / -
0
135
MSHR_HUMAN
15
45%
0.348
PF00001
78 -
(0)
2
- / - / -
0
136
OR6C3_HUMAN
5
37%
0.348
PF00001
43 -
(0)
?
- / - / -
0
137
PE2R1_HUMAN
13
34%
0.348
PF00001
41 -
(0)
?
- / - / -
0
138
MC3R_HUMAN
20
43%
0.347
PF00001
47 -
(0)
?
- / - / -
0
139
TAAR8_HUMAN
20
32%
0.347
PF00001
180 -
(0)
?
- / - / -
0
140
NPY2R_HUMAN
20
38%
0.347
PF00001
82 -
(0)
1
- / - / -
0
141
OR8A1_HUMAN
11
40%
0.345
PF00001
58 -
(0)
?
- / - / -
0
142
OR5H2_HUMAN
13
57%
0.345
PF10413
24 -
(0)
?
- / - / -
0
143
OR6P1_HUMAN
6
34%
0.345
PF00001
36 -
(0)
?
- / - / -
0
144
ACTHR_HUMAN
20
46%
0.345
PF00001
82 -
(0)
2
- / - / -
0
145
OR1E1_HUMAN
5
27%
0.344
PF00001
40 -
(0)
?
- / - / -
0
146
OR5M1_HUMAN
7
32%
0.343
PF00001
33 -
(0)
?
- / - / -
0
147
OR5MA_HUMAN
0
31%
0.343
PF00001
69 -
(0)
?
- / - / -
0
148
O10C1_HUMAN
4
34%
0.343
PF00001
36 -
(0)
?
- / - / -
0
149
OR8D4_HUMAN
12
29%
0.343
PF00001
25 -
(0)
?
- / - / -
0
150
5HT6R_HUMAN
25
35%
0.343
PF00001
C5_S1
167 -
(0)
2
- / - /
3
0
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