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
O13C6_HUMAN
8
29%
0.209
PF00001
22 -
(0)
?
- / - / -
0
101
OR5A2_HUMAN
13
33%
0.313
PF00001
20 -
(0)
?
- / - / -
0
102
OR8B3_HUMAN
12
42%
0.279
PF00001
55 -
(0)
?
- / - / -
0
103
GPR83_HUMAN
20
35%
0.250
PF00001
57 -
(0)
?
- / - / -
0
104
O13C2_HUMAN
4
37%
0.246
PF10413
42 -
(0)
?
- / - / -
0
105
5HT1F_HUMAN
20
46%
0.342
PF00001
161 -
(0)
?
- / - / -
0
106
OR1K1_HUMAN
8
31%
0.279
PF00001
31 -
(0)
?
- / - / -
0
107
OR2W6_HUMAN
3
36%
0.231
PF10413
47 -
(0)
?
- / - / -
0
108
OR1B1_HUMAN
7
35%
0.334
PF00001
82 -
(0)
?
- / - / -
0
109
5HT5A_HUMAN
20
56%
0.350
PF00001
84 -
(0)
?
- / - / -
0
110
O56B2_HUMAN
13
50%
0.262
PF00001
53 -
(0)
?
- / - / -
0
111
NPY6R_HUMAN
20
36%
0.284
PF10413
43 -
(0)
?
- / - / -
0
112
OR4DB_HUMAN
13
28%
0.252
PF00001
27 -
(0)
?
- / - / -
0
113
O13C4_HUMAN
6
59%
0.302
PF00001
32 -
(0)
?
- / - / -
0
114
GP171_HUMAN
15
33%
0.272
PF00001
52 -
(0)
?
- / - / -
0
115
MTR1L_HUMAN
20
34%
0.283
PF00001
88 -
(0)
?
- / - / -
0
116
GP142_HUMAN
8
46%
0.283
PF00001
36 -
(0)
?
- / - / -
0
117
OR1J2_HUMAN
10
33%
0.358
PF00001
53 -
(0)
?
- / - / -
0
118
OR9A2_HUMAN
9
28%
0.307
PF00001
59 -
(0)
?
- / - / -
0
119
PACR_HUMAN
10
44%
0.214
PF00001
12 -
(0)
?
- / - / -
0
120
GPR35_HUMAN
16
36%
0.361
PF00001
82 -
(0)
?
- / - / -
0
121
FZD8_HUMAN
14
100%
0.566
PF01392
13 -
(0)
?
- / - / -
0
122
O10D4_HUMAN
12
33%
0.262
PF00001
53 -
(0)
?
- / - / -
0
123
OR8K1_HUMAN
13
31%
0.300
PF00001
33 -
(0)
?
- / - / -
0
124
OR5B2_HUMAN
5
31%
0.349
PF00001
23 -
(0)
?
- / - / -
0
125
OR4M2_HUMAN
7
34%
0.289
PF10413
24 -
(0)
?
- / - / -
0
126
O2AE1_HUMAN
10
57%
0.304
PF00001
45 -
(0)
?
- / - / -
0
127
OR8J1_HUMAN
13
30%
0.266
PF00001
35 -
(0)
?
- / - / -
0
128
AGRL1_HUMAN
15
97%
0.609
PF02793
2 -
(0)
1
- / - / -
0
129
GP139_HUMAN
13
38%
0.249
PF00001
47 -
(0)
?
- / - / -
0
130
OR5BH_HUMAN
6
40%
0.329
PF00001
27 -
(0)
?
- / - / -
0
131
O52A4_HUMAN
11
32%
0.044
PF00001
39 -
(0)
?
- / - / -
0
132
OR6B2_HUMAN
11
70%
0.309
PF00001
46 -
(0)
?
- / - / -
0
133
LSHR_HUMAN
6
22%
0.297
PF10413
23 -
(0)
?
- / - / -
0
134
T2R31_HUMAN
8
26%
0.238
PF00001
20 -
(0)
?
- / - / -
0
135
GPR39_HUMAN
19
38%
0.291
PF10413
27 -
(0)
?
- / - / -
0
136
O11HC_HUMAN
6
40%
0.295
PF00001
36 -
(0)
?
- / - / -
0
137
OR4D6_HUMAN
6
31%
0.257
PF00001
39 -
(0)
?
- / - / -
0
138
OR4C5_HUMAN
13
19%
0.270
PF00001
13 -
(0)
?
- / - / -
0
139
OXGR1_HUMAN
20
37%
0.301
PF00001
52 -
(0)
?
- / - / -
0
140
SMO_HUMAN
16
100%
0.319
PF01392
C1_S1
13 -
(0)
2
1
/ - / -
0
141
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
142
ACKR3_HUMAN
19
42%
0.269
PF00001
62 -
(0)
?
- / - / -
0
143
OR8A1_HUMAN
11
40%
0.345
PF00001
58 -
(0)
?
- / - / -
0
144
OR8U9_HUMAN
14
39%
0.367
PF00001
41 -
(0)
?
- / - / -
0
145
OR2J2_HUMAN
7
36%
0.226
PF00001
35 -
(0)
?
- / - / -
0
146
GPR63_HUMAN
20
38%
0.197
PF00001
C3_S1
74 -
(0)
5
- / - /
3
0
147
O5AN1_HUMAN
13
38%
0.330
PF00001
24 -
(0)
?
- / - / -
0
148
AGRF3_HUMAN
5
27%
0.380
PF07654
11 -
(0)
?
- / - / -
0
149
OR6N2_HUMAN
9
37%
0.342
PF00001
33 -
(0)
?
- / - / -
0
150
OR5T3_HUMAN
11
38%
0.290
PF00001
30 -
(0)
?
- / - / -
0
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