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
OR3A2_HUMAN
4
45%
0.153
PF00001
78 -
(0)
?
- / - / -
0
101
OR1E2_HUMAN
6
28%
0.332
PF00001
77 -
(0)
?
- / - / -
0
102
GHSR_HUMAN
20
37%
0.370
PF00001
77 -
(0)
1
- / - / -
0
103
NPSR1_HUMAN
20
33%
0.150
PF00001
77 -
(0)
?
- / - / -
0
104
V1BR_HUMAN
11
29%
0.222
PF00001
76 -
(0)
?
- / - / -
0
105
GALR3_HUMAN
20
35%
0.229
PF00001
76 -
(0)
?
- / - / -
0
106
GPR45_HUMAN
20
38%
0.285
PF00001
76 -
(0)
3
- / - / -
0
107
SSR1_HUMAN
20
47%
0.384
PF00001
C5_S1
75 -
(0)
1
- / - /
1
0
108
NTR1_HUMAN
20
90%
0.476
PF00001
75 -
(0)
2
- / - / -
0
109
O11L1_HUMAN
1
53%
0.312
PF00001
74 -
(0)
?
- / - / -
0
110
MCHR1_HUMAN
20
34%
0.279
PF00001
74 -
(0)
?
- / - / -
0
111
TAAR3_HUMAN
20
50%
0.301
PF00001
74 -
(0)
?
- / - / -
0
112
GPR63_HUMAN
20
38%
0.197
PF00001
C3_S1
74 -
(0)
5
- / - /
3
0
113
CXCR3_HUMAN
20
44%
0.187
PF00001
C4_S1
74 -
(0)
3
- / - /
3
0
114
GPR26_HUMAN
10
29%
0.256
PF00001
74 -
(0)
?
- / - / -
0
115
SSR5_HUMAN
19
43%
0.276
PF00001
74 -
(0)
?
- / - / -
0
116
O52E8_HUMAN
2
41%
0.267
PF00001
74 -
(0)
?
- / - / -
0
117
CXCR6_HUMAN
20
47%
0.284
PF00001
73 -
(0)
?
- / - / -
0
118
OR2T7_HUMAN
4
36%
0.282
PF00001
73 -
(0)
?
- / - / -
0
119
O52J3_HUMAN
3
37%
0.231
PF00001
73 -
(0)
?
- / - / -
0
120
GP174_HUMAN
16
33%
0.262
PF00001
73 -
(0)
?
- / - / -
0
121
OR4X1_HUMAN
5
46%
0.234
PF00001
73 -
(0)
?
- / - / -
0
122
GPR21_HUMAN
20
33%
0.304
PF00001
73 -
(0)
?
- / - / -
0
123
OR2D3_HUMAN
7
33%
0.268
PF00001
73 -
(0)
?
- / - / -
0
124
GP151_HUMAN
6
38%
0.276
PF00001
73 -
(0)
?
- / - / -
0
125
V2R_HUMAN
13
93%
0.307
PF10413
72 -
(0)
?
- / - / -
0
126
ACKR4_HUMAN
20
36%
0.209
PF00001
72 -
(0)
1
- / - / -
0
127
CCR9_HUMAN
20
40%
0.309
PF00001
C4_S1
72 -
(0)
4
- / - /
1
0
128
HCAR2_HUMAN
19
34%
0.229
PF00001
72 -
(0)
?
- / - / -
0
129
AA3R_HUMAN
20
43%
0.351
PF00001
C2_S1
71 -
(0)
1
- / - /
1
0
130
NPBW1_HUMAN
20
39%
0.400
PF00001
71 -
(0)
?
- / - / -
0
131
GPR17_HUMAN
18
33%
0.282
PF00001
71 -
(0)
?
- / - / -
0
132
BKRB1_HUMAN
20
34%
0.277
PF00001
71 -
(0)
?
- / - / -
0
133
CXCR2_HUMAN
20
87%
0.267
PF00001
71 -
(0)
1
- / - / -
0
134
NPFF2_HUMAN
20
36%
0.325
PF00001
70 -
(0)
?
- / - / -
0
135
O10A4_HUMAN
6
27%
0.321
PF00001
70 -
(0)
?
- / - / -
0
136
OPSX_HUMAN
20
47%
0.301
PF10413
70 -
(0)
?
- / - / -
0
137
OR1P1_HUMAN
6
39%
0.302
PF00001
69 -
(0)
?
- / - / -
0
138
CXCR1_HUMAN
20
100%
0.227
PF00001
69 -
(0)
2
- / - / -
0
139
O14K1_HUMAN
5
47%
0.284
PF00001
69 -
(0)
?
- / - / -
0
140
OR2BB_HUMAN
0
33%
0.283
PF00001
69 -
(0)
?
- / - / -
0
141
OR5MA_HUMAN
0
31%
0.343
PF00001
69 -
(0)
?
- / - / -
0
142
OR2C1_HUMAN
3
40%
0.327
PF10413
69 -
(0)
?
- / - / -
0
143
NMUR2_HUMAN
20
35%
0.372
PF00001
68 -
(0)
?
- / - / -
0
144
OR2G3_HUMAN
3
38%
0.316
PF10413
68 -
(0)
?
- / - / -
0
145
OR7D2_HUMAN
6
36%
0.315
PF00001
68 -
(0)
?
- / - / -
0
146
GNRHR_HUMAN
4
40%
0.251
PF00001
68 -
(0)
?
- / - / -
0
147
P2Y12_HUMAN
19
100%
0.290
PF00001
67 -
(0)
?
- / - / -
0
148
GPR88_HUMAN
9
41%
0.246
PF00001
67 -
(0)
?
- / - / -
0
149
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(0)
?
- / - / -
0
150
LPAR6_HUMAN
20
36%
0.233
PF00001
66 -
(0)
1
- / - / -
0
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