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
NK1R_HUMAN
20
100%
0.245
PF00001
52 -
(0)
?
- / - / -
0
151
CXCR3_HUMAN
20
44%
0.187
PF00001
C4_S1
74 -
(0)
3
- / - /
3
0
152
5HT1F_HUMAN
20
46%
0.342
PF00001
161 -
(0)
?
- / - / -
0
153
TAAR2_HUMAN
20
43%
0.313
PF00001
49 -
(0)
?
- / - / -
0
154
GABR1_HUMAN
20
100%
0.579
PF01094
C3_S1
32 -
(0)
8
- /
2
/
6
8
155
NTR1_HUMAN
20
90%
0.476
PF00001
75 -
(0)
2
- / - / -
0
156
ADA2B_HUMAN
20
53%
0.368
PF00001
114 -
(0)
?
- / - / -
0
157
NPBW2_HUMAN
20
42%
0.290
PF00001
78 -
(0)
?
- / - / -
0
158
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
159
ADA1D_HUMAN
20
39%
0.245
PF00001
235 -
(0)
1
- / - / -
0
160
ACKR4_HUMAN
20
36%
0.209
PF00001
72 -
(0)
1
- / - / -
0
161
OPRD_HUMAN
20
100%
0.402
PF00001
C2_S1
47 -
(0)
1
- /
3
/ -
1
162
OPN5_HUMAN
20
35%
0.177
PF10413
117 -
(0)
?
- / - / -
0
163
OPRX_HUMAN
20
98%
0.393
PF00001
C3_S1
60 -
(0)
2
- /
3
/
1
1
164
DRD4_HUMAN
20
51%
0.232
PF00001
152 -
(0)
?
- / - / -
0
165
TS1R1_HUMAN
20
29%
0.497
PF07562
24 -
(0)
?
- / - / -
0
166
CCR4_HUMAN
20
43%
0.368
PF00001
63 -
(0)
2
- / - / -
0
167
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
168
GPR15_HUMAN
20
32%
0.246
PF00001
66 -
(0)
?
- / - / -
0
169
TS1R3_HUMAN
20
33%
0.443
PF07562
31 -
(0)
?
- / - / -
0
170
XCR1_HUMAN
20
35%
0.313
PF00001
56 -
(0)
?
- / - / -
0
171
GPR52_HUMAN
20
37%
0.293
PF00001
110 -
(0)
?
- / - / -
0
172
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
173
SSR3_HUMAN
20
43%
0.398
PF00001
43 -
(0)
?
- / - / -
0
174
CX3C1_HUMAN
20
38%
0.310
PF00001
57 -
(0)
?
- / - / -
0
175
GPR83_HUMAN
20
35%
0.250
PF00001
57 -
(0)
?
- / - / -
0
176
5HT5A_HUMAN
20
56%
0.350
PF00001
84 -
(0)
?
- / - / -
0
177
DRD2_HUMAN
20
70%
0.316
PF00001
143 -
(0)
?
- / - / -
0
178
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
179
ACM3_HUMAN
20
98%
0.237
PF00001
83 -
(0)
?
- / - / -
0
180
ACM4_HUMAN
20
84%
0.218
PF00001
C5_S1
55 -
(0)
5
- /
6
/ -
3
181
OPRM_HUMAN
20
97%
0.365
PF00001
C3_S1
50 -
(0)
3
- /
1
/
2
0
182
PAR1_HUMAN
20
35%
0.203
PF00001
49 -
(0)
?
- / - / -
0
183
GPC6A_HUMAN
20
37%
0.389
PF07562
26 -
(0)
?
- / - / -
0
184
ACTHR_HUMAN
20
46%
0.345
PF00001
82 -
(0)
2
- / - / -
0
185
TAAR5_HUMAN
20
40%
0.314
PF00001
189 -
(0)
1
- / - / -
0
186
P2RY2_HUMAN
20
39%
0.256
PF00001
58 -
(0)
?
- / - / -
0
187
GP119_HUMAN
20
38%
0.438
PF00001
123 -
(0)
?
- / - / -
0
188
MTR1A_HUMAN
20
39%
0.293
PF00001
101 -
(0)
?
- / - / -
0
189
GPR12_HUMAN
20
43%
0.234
PF00001
43 -
(0)
?
- / - / -
0
190
TAAR6_HUMAN
20
34%
0.278
PF00001
209 -
(0)
?
- / - / -
0
191
ADA2C_HUMAN
20
42%
0.239
PF00001
97 -
(0)
?
- / - / -
0
192
ACKR3_HUMAN
19
42%
0.269
PF00001
62 -
(0)
?
- / - / -
0
193
GP132_HUMAN
19
39%
0.243
PF00001
48 -
(0)
?
- / - / -
0
194
GPR34_HUMAN
19
41%
0.266
PF12109
53 -
(0)
?
- / - / -
0
195
SSR5_HUMAN
19
43%
0.276
PF00001
74 -
(0)
?
- / - / -
0
196
GPR4_HUMAN
19
37%
0.298
PF00001
62 -
(0)
?
- / - / -
0
197
V1AR_HUMAN
19
35%
0.241
PF00001
45 -
(0)
?
- / - / -
0
198
ACM2_HUMAN
19
97%
0.222
PF00001
C9_S1
106 -
(0)
1
- / - /
1
0
199
LGR4_HUMAN
19
100%
0.407
PF01462
23 -
(0)
?
- / - / -
0
200
S1PR4_HUMAN
19
41%
0.321
PF00001
C5_S1
32 -
(0)
?
- / - /
1
0
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