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]
50
AGRF5_HUMAN
16
34%
0.252
PF07686
20 -
(0)
?
- / - / -
0
51
AGRG2_HUMAN
13
30%
0.149
PF00001
15 -
(0)
?
- / - / -
0
52
AGRG3_HUMAN
7
30%
0.103
PF00001
10 -
(0)
?
- / - / -
0
53
AGRG4_HUMAN
8
24%
0.331
-
4 -
(0)
?
- / - / -
0
54
AGRG5_HUMAN
11
31%
0.274
PF00001
7 -
(0)
?
- / - / -
0
55
AGRG7_HUMAN
12
26%
0.159
PF00001
7 -
(0)
?
- / - / -
0
56
AGRL1_HUMAN
15
97%
0.609
PF02793
2 -
(0)
1
- / - / -
0
57
AGRL2_HUMAN
20
86%
0.526
PF02140
C1_S1
13 -
(0)
1
1
/ - /
3
0
58
AGRL3_HUMAN
23
100%
0.534
PF02140
C2_S1
13 -
(0)
1
1
/ - /
3
0
59
AGRL4_HUMAN
8
34%
0.269
PF00001
11 -
(0)
?
- / - / -
0
60
AGTR1_HUMAN
20
37%
0.303
PF00001
79 -
(0)
?
- / - / -
0
61
AGTR2_HUMAN
20
34%
0.358
PF00001
66 -
(0)
3
- / - / -
0
62
APJ_HUMAN
20
33%
0.135
PF00001
55 -
(0)
?
- / - / -
0
63
BAI1_HUMAN
12
64%
0.409
PF00090
13 -
(0)
1
- / - / -
0
64
BKRB1_HUMAN
20
34%
0.277
PF00001
71 -
(0)
?
- / - / -
0
65
BKRB2_HUMAN
20
46%
0.328
PF00001
67 -
(0)
?
- / - / -
0
66
BRS3_HUMAN
20
33%
0.278
PF00001
92 -
(0)
?
- / - / -
0
67
C3AR_HUMAN
6
36%
0.198
PF00001
116 -
(0)
?
- / - / -
0
68
C5AR1_HUMAN
20
38%
0.286
PF00001
50 -
(0)
?
- / - / -
0
69
C5AR2_HUMAN
14
35%
0.285
PF12109
43 -
(0)
?
- / - / -
0
70
CALCR_HUMAN
9
65%
0.408
PF02793
C4_S1
7 -
(0)
3
- /
3
/ -
2
71
CALRL_HUMAN
8
40%
0.258
PF00001
C2_S1
19 -
(0)
2
- / - /
1
0
72
CASR_HUMAN
24
35%
0.459
PF07562
C2_S1
37 -
(0)
15
- / - /
13
6
73
CCKAR_HUMAN
17
39%
0.247
PF10413
37 -
(0)
?
- / - / -
0
74
CCR10_HUMAN
20
38%
0.369
PF00001
65 -
(0)
?
- / - / -
0
75
CCR1_HUMAN
20
48%
0.353
PF00001
C2_S1
62 -
(0)
2
2
/ - / -
1
76
CCR2_HUMAN
20
63%
0.311
PF00001
65 -
(0)
2
- / - / -
0
77
CCR3_HUMAN
20
46%
0.356
PF00001
C3_S1
63 -
(0)
2
- / - /
1
0
78
CCR4_HUMAN
20
43%
0.368
PF00001
63 -
(0)
2
- / - / -
0
79
CCR5_HUMAN
20
85%
0.306
PF00001
C2_S1
54 -
(0)
2
2
/ - / -
1
80
CCR6_HUMAN
20
45%
0.235
PF00001
57 -
(0)
?
- / - / -
0
81
CCR7_HUMAN
18
47%
0.267
PF00001
88 -
(0)
2
- / - / -
0
82
CCR8_HUMAN
20
36%
0.328
PF00001
54 -
(0)
1
- / - / -
0
83
CCR9_HUMAN
20
40%
0.309
PF00001
C4_S1
72 -
(0)
4
- / - /
1
0
84
CCRL2_HUMAN
19
38%
0.326
PF00001
44 -
(0)
?
- / - / -
0
85
CD97_HUMAN
18
85%
0.367
PF00084
1 -
(0)
?
- / - / -
0
86
CELR1_HUMAN
9
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
87
CELR2_HUMAN
10
32%
0.367
PF08758
0 -
(0)
?
- / - / -
0
88
CELR3_HUMAN
10
34%
0.394
PF08758
0 -
(0)
?
- / - / -
0
89
CLTR1_HUMAN
20
35%
0.277
PF00001
54 -
(0)
?
- / - / -
0
90
CLTR2_HUMAN
20
31%
0.322
PF00001
49 -
(0)
?
- / - / -
0
91
CML1_HUMAN
19
34%
0.209
PF00001
49 -
(0)
?
- / - / -
0
92
CNR1_HUMAN
20
95%
0.245
PF00001
84 -
(0)
?
- / - / -
0
93
CNR2_HUMAN
20
37%
0.355
PF00001
99 -
(0)
2
- / - / -
0
94
CRFR1_HUMAN
12
100%
0.418
PF02793
C4_S1
10 -
(0)
?
- /
1
/
8
0
95
CRFR2_HUMAN
13
100%
0.442
PF02793
C4_S1
22 -
(0)
?
- /
1
/
9
0
96
CX3C1_HUMAN
20
38%
0.310
PF00001
57 -
(0)
?
- / - / -
0
97
CXCR1_HUMAN
20
100%
0.227
PF00001
69 -
(0)
2
- / - / -
0
98
CXCR2_HUMAN
20
87%
0.267
PF00001
71 -
(0)
1
- / - / -
0
99
CXCR3_HUMAN
20
44%
0.187
PF00001
C4_S1
74 -
(0)
3
- / - /
3
0
100
CXCR4_HUMAN
20
99%
0.277
PF00001
C5_S1
55 -
(0)
?
- / - /
2
0
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