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]
1
GLP1R_HUMAN
8
100%
0.622
PF02793
C5_S1
16 -
(0)
?
- /
1
/ -
0
2
FZD10_HUMAN
17
52%
0.615
PF01392
C6_S1
15 -
(0)
2
- / - /
1
0
3
AGRL1_HUMAN
15
97%
0.609
PF02793
2 -
(0)
1
- / - / -
0
4
GABR1_HUMAN
20
100%
0.579
PF01094
C3_S1
32 -
(0)
8
- /
2
/
6
8
5
GRM7_HUMAN
25
99%
0.569
PF07562
C1_S1
44 -
(0)
19
- /
3
/
19
10
6
FZD8_HUMAN
14
100%
0.566
PF01392
13 -
(0)
?
- / - / -
0
7
FZD3_HUMAN
13
41%
0.564
PF01392
13 -
(0)
?
- / - / -
0
8
GRM5_HUMAN
27
99%
0.555
PF07562
C1_S1
37 -
(0)
11
- /
3
/
10
7
9
GRM1_HUMAN
26
99%
0.555
PF07562
C1_S1
35 -
(0)
11
- /
3
/
10
7
10
FZD4_HUMAN
16
100%
0.551
PF01392
12 -
(0)
2
- / - / -
0
11
GRM2_HUMAN
32
99%
0.550
PF07562
C1_S1
47 -
(0)
20
- /
7
/
23
10
12
GRM4_HUMAN
28
68%
0.539
PF07562
C1_S1
44 -
(0)
19
- /
4
/
18
10
13
AGRL3_HUMAN
23
100%
0.534
PF02140
C2_S1
13 -
(0)
1
1
/ - /
3
0
14
AGRL2_HUMAN
20
86%
0.526
PF02140
C1_S1
13 -
(0)
1
1
/ - /
3
0
15
GRM8_HUMAN
32
71%
0.523
PF07562
C2_S1
45 -
(0)
20
- /
4
/
21
10
16
PTH1R_HUMAN
1
42%
0.514
PF02793
16 -
(0)
?
- / - / -
0
17
GP179_HUMAN
1
38%
0.509
PF00001
8 -
(0)
?
- / - / -
0
18
GRM3_HUMAN
35
99%
0.507
PF07562
C1_S1
37 -
(0)
17
- /
6
/
18
9
19
FZD9_HUMAN
17
49%
0.504
PF01392
12 -
(0)
1
- / - / -
0
20
AGRE3_HUMAN
7
51%
0.501
PF00089
0 -
(0)
?
- / - / -
0
21
TS1R1_HUMAN
20
29%
0.497
PF07562
24 -
(0)
?
- / - / -
0
22
GRM6_HUMAN
30
66%
0.493
PF07562
C1_S1
43 -
(0)
20
- /
4
/
20
10
23
GABR2_HUMAN
20
100%
0.488
PF07562
48 -
(0)
?
- / - / -
0
24
RXFP2_HUMAN
20
38%
0.481
PF01582
5 -
(0)
?
- / - / -
0
25
NTR1_HUMAN
20
90%
0.476
PF00001
75 -
(0)
2
- / - / -
0
26
FZD7_HUMAN
13
56%
0.467
PF01392
13 -
(0)
?
- / - / -
0
27
TS1R2_HUMAN
20
28%
0.460
PF07562
33 -
(0)
?
- / - / -
0
28
CASR_HUMAN
24
35%
0.459
PF07562
C2_S1
37 -
(0)
15
- / - /
13
6
29
LGR5_HUMAN
19
100%
0.446
PF01462
24 -
(0)
4
- / - / -
0
30
FZD1_HUMAN
19
55%
0.444
PF01392
C4_S1
12 -
(0)
2
- / - /
5
0
31
TS1R3_HUMAN
20
33%
0.443
PF07562
31 -
(0)
?
- / - / -
0
32
CRFR2_HUMAN
13
100%
0.442
PF02793
C4_S1
22 -
(0)
?
- /
1
/
9
0
33
GP119_HUMAN
20
38%
0.438
PF00001
123 -
(0)
?
- / - / -
0
34
FZD2_HUMAN
18
57%
0.435
PF01392
C5_S1
14 -
(0)
2
- / - /
3
0
35
NTR2_HUMAN
11
39%
0.430
PF00001
86 -
(0)
?
- / - / -
0
36
CRFR1_HUMAN
12
100%
0.418
PF02793
C4_S1
10 -
(0)
?
- /
1
/
8
0
37
AGRD2_HUMAN
8
29%
0.417
PF07952
12 -
(0)
?
- / - / -
0
38
SSR4_HUMAN
20
47%
0.414
PF00001
C6_S1
223 -
(0)
5
- / - /
4
0
39
ADRB1_HUMAN
32
86%
0.414
PF00001
C3_S1
191 -
(0)
7
- /
6
/
16
1
40
AA2AR_HUMAN
31
99%
0.413
PF00001
C5_S1
193 -
(0)
8
- / - /
4
0
41
AGRE1_HUMAN
6
44%
0.410
PF00084
6 -
(0)
?
- / - / -
0
42
BAI1_HUMAN
12
64%
0.409
PF00090
13 -
(0)
1
- / - / -
0
43
GP126_HUMAN
7
33%
0.408
PF00089
4 -
(0)
?
- / - / -
0
44
CALCR_HUMAN
9
65%
0.408
PF02793
C4_S1
7 -
(0)
3
- /
3
/ -
2
45
GHRHR_HUMAN
6
96%
0.408
PF02793
20 -
(0)
?
- / - / -
0
46
LGR4_HUMAN
19
100%
0.407
PF01462
23 -
(0)
?
- / - / -
0
47
OR6N1_HUMAN
5
37%
0.405
PF00001
51 -
(0)
?
- / - / -
0
48
PAR4_HUMAN
20
35%
0.405
PF00001
89 -
(0)
1
- / - / -
0
49
OPN4_HUMAN
20
42%
0.404
PF10413
81 -
(0)
?
- / - / -
0
50
OPSG_HUMAN
21
43%
0.404
PF10413
C10_S1
23 -
(0)
5
- / - /
4
0
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