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]
150
O52D1_HUMAN
1
31%
0.288
PF00001
66 -
(0)
?
- / - / -
0
151
PKR1_HUMAN
20
35%
0.257
PF00001
66 -
(0)
1
- / - / -
0
152
AGTR2_HUMAN
20
34%
0.358
PF00001
66 -
(0)
3
- / - / -
0
153
HCAR1_HUMAN
19
31%
0.159
PF00001
66 -
(0)
?
- / - / -
0
154
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
155
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
156
OR8K3_HUMAN
12
33%
0.382
PF00001
65 -
(0)
?
- / - / -
0
157
OXER1_HUMAN
15
34%
0.307
PF00001
65 -
(0)
?
- / - / -
0
158
O2T29_HUMAN
7
45%
0.214
PF00001
65 -
(0)
?
- / - / -
0
159
PTAFR_HUMAN
16
43%
0.190
PF00001
65 -
(0)
1
- / - / -
0
160
P2RY6_HUMAN
20
38%
0.265
PF00001
65 -
(0)
?
- / - / -
0
161
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
162
CCR10_HUMAN
20
38%
0.369
PF00001
65 -
(0)
?
- / - / -
0
163
PD2R2_HUMAN
18
32%
0.327
PF00001
65 -
(0)
?
- / - / -
0
164
GP148_HUMAN
12
26%
0.311
PF00001
65 -
(0)
?
- / - / -
0
165
UR2R_HUMAN
19
34%
0.380
PF00001
64 -
(0)
?
- / - / -
0
166
CXCR5_HUMAN
20
41%
0.285
PF00001
64 -
(0)
?
- / - / -
0
167
O52E5_HUMAN
12
35%
0.272
PF00001
64 -
(0)
?
- / - / -
0
168
NMBR_HUMAN
20
37%
0.278
PF00001
63 -
(0)
?
- / - / -
0
169
CCR4_HUMAN
20
43%
0.368
PF00001
63 -
(0)
2
- / - / -
0
170
OPSB_HUMAN
17
46%
0.270
PF10413
63 -
(0)
?
- / - / -
0
171
CCR3_HUMAN
20
46%
0.356
PF00001
C3_S1
63 -
(0)
2
- / - /
1
0
172
O13C8_HUMAN
4
40%
0.160
PF10413
62 -
(0)
?
- / - / -
0
173
NPFF1_HUMAN
20
36%
0.321
PF00001
62 -
(0)
?
- / - / -
0
174
OR1D5_HUMAN
3
38%
0.299
PF00001
62 -
(0)
?
- / - / -
0
175
CCR1_HUMAN
20
48%
0.353
PF00001
C2_S1
62 -
(0)
2
2
/ - / -
1
176
OR1L6_HUMAN
9
31%
0.328
PF00001
62 -
(0)
?
- / - / -
0
177
PSYR_HUMAN
20
32%
0.265
PF00001
62 -
(0)
1
- / - / -
0
178
GPR84_HUMAN
12
35%
0.315
PF00001
62 -
(0)
?
- / - / -
0
179
GPR4_HUMAN
19
37%
0.298
PF00001
62 -
(0)
?
- / - / -
0
180
OR2L3_HUMAN
3
34%
0.263
PF10413
62 -
(0)
?
- / - / -
0
181
ACKR3_HUMAN
19
42%
0.269
PF00001
62 -
(0)
?
- / - / -
0
182
O2A14_HUMAN
7
33%
0.321
PF00001
62 -
(0)
?
- / - / -
0
183
O10J5_HUMAN
11
34%
0.191
PF00001
62 -
(0)
?
- / - / -
0
184
O13C9_HUMAN
4
31%
0.321
PF10413
61 -
(0)
?
- / - / -
0
185
NMUR1_HUMAN
20
39%
0.318
PF00001
60 -
(0)
3
- / - / -
0
186
PE2R4_HUMAN
12
35%
0.273
PF00001
60 -
(0)
?
- / - / -
0
187
OPRX_HUMAN
20
98%
0.393
PF00001
C3_S1
60 -
(0)
2
- /
3
/
1
1
188
LT4R1_HUMAN
20
31%
0.313
PF00001
60 -
(0)
?
- / - / -
0
189
P2Y14_HUMAN
15
46%
0.262
PF00001
60 -
(0)
?
- / - / -
0
190
OX1R_HUMAN
20
74%
0.395
PF00001
60 -
(0)
?
- / - / -
0
191
OR6B1_HUMAN
13
29%
0.285
PF10413
60 -
(0)
?
- / - / -
0
192
HRH3_HUMAN
20
40%
0.257
PF00001
C1_S1
59 -
(0)
2
- / - /
2
0
193
OR9A2_HUMAN
9
28%
0.307
PF00001
59 -
(0)
?
- / - / -
0
194
OR2W3_HUMAN
3
25%
0.238
PF10413
59 -
(0)
?
- / - / -
0
195
PAR2_HUMAN
18
36%
0.249
PF00001
59 -
(0)
?
- / - / -
0
196
OR2H1_HUMAN
2
44%
0.235
PF10413
59 -
(0)
?
- / - / -
0
197
OR7C2_HUMAN
6
31%
0.217
PF00001
59 -
(0)
?
- / - / -
0
198
OR9G4_HUMAN
8
52%
0.304
PF00001
59 -
(0)
?
- / - / -
0
199
LPAR5_HUMAN
20
32%
0.313
PF00001
58 -
(0)
?
- / - / -
0
200
MC4R_HUMAN
20
46%
0.334
PF00001
58 -
(0)
?
- / - / -
0
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