Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
MS2MODEL_SGK223 (2018 - Homo sapiens - Interactome SGK223 )
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Data.csv
|
3D Common Core
|
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
ADP - [nb=137] --> ADENOSINE-5'-DIPHOSPHATE
ATP - [nb=45] --> ADENOSINE-5'-TRIPHOSPHATE
ANP - [nb=22] --> .....ONIC ACID-ADENYLATE ESTER
AMP - [nb=21] --> ADENOSINE MONOPHOSPHATE
FAD - [nb=16] --> .....AVIN-ADENINE DINUCLEOTIDE
STU - [nb=10] --> STAUROSPORINE
BCD - [nb=6] --> SUGAR (BETA-CYCLODEXTRIN)
TRS - [nb=6] --> .....XYMETHYL-PROPANE-1,3-DIOL
TMO - [nb=5] --> TRIMETHYLAMINE OXIDE
BME - [nb=4] --> BETA-MERCAPTOETHANOL
DTP - [nb=4] --> .....ADENOSINE 5'-TRIPHOSPHATE
EDO - [nb=3] --> 1,2-ETHANEDIOL
FAR - [nb=3] --> FARNESYL
P16 - [nb=3] --> .....2,3-D]PYRIMIDIN-7(8H)-ONE
PRO - [nb=3] --> PROLINE
J7V - [nb=3] --> .....RBONYLAMINO)-3'-DEOXY-ADP
OKA - [nb=2] --> OKADAIC ACID
4CQ - [nb=2] --> .....lucosyl-beta-cyclodextrin
R78 - [nb=2] --> .....LPIPERIDIN-4-YL)BENZAMIDE
3FD - [nb=2] --> .....ETHOXYMETHYL]BENZONITRILE
NAP - [nb=2] --> .....NE-DINUCLEOTIDE PHOSPHATE
GOL - [nb=2] --> GLYCEROL
TAK - [nb=2] --> .....PYRAZOLO[1,5-A]PYRIMIDINE
MPD - [nb=2] --> .....-2-METHYL-2,4-PENTANEDIOL
0J9 - [nb=2] --> .....O[3,4-D]PYRIMIDIN-4-AMINE
3RA - [nb=2] --> .....LAMINO)-4H-IMIDAZOL-4-ONE
K88 - [nb=2] --> .....O-1H-INDOLE-5-SULFONAMIDE
D0S - [nb=2] --> .....yl]pyridine-4-carboxamide
7AA - [nb=2] --> .....inazoline-2-carboximidate
GER - [nb=2] --> GERAN-8-YL GERAN
626 - [nb=2] --> .....-C]PYRAZOL-3-YL]BENZAMIDE
JAN - [nb=2] --> .....-METHYLQUINOLIN-2(1H)-ONE
GVD - [nb=2] --> .....,5-DIEN-1-YL]ACETONITRILE
CPS - [nb=2] --> .....MONIO]-1-PROPANESULFONATE
BNE - [nb=1] --> .....5-YL)-ETHYL]-BENZONITRILE
GBO - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
778 - [nb=1] --> .....-1-YL)METHYL]BENZONITRILE
5SO - [nb=1] --> .....sicoccin A-THF derivative
3TR - [nb=1] --> 3-AMINO-1,2,4-TRIAZOLE
SZ6 - [nb=1] --> .....L)-2,4-DIHYDROXYBENZAMIDE
7DT - [nb=1] --> .....adenosine-5'-triphosphate
AN2 - [nb=1] --> AMP PHOSPHORAMIDATE
XMS - [nb=1] --> .....IAZOL-5-YL)PROPANOIC ACID
0XZ - [nb=1] --> .....)PIPERIDINE-4-CARBOXAMIDE
H8H - [nb=1] --> .....-YLOXY)QUINAZOLIN-4-AMINE
IBI - [nb=1] --> .....AMINO}-3-METHOXYBENZAMIDE
0PL - [nb=1] --> .....IAZOL-5-YL)PROPANOIC ACID
U49 - [nb=1] --> .....TADECOSINE-9-CARBONITRILE
4TE - [nb=1] --> .....ane-2,3-dicarboxylic acid
DB8 - [nb=1] --> .....]QUINOLINE-3-CARBONITRILE
6PV - [nb=1] --> .....enylamino)ethyl]benzamide
DBQ - [nb=1] --> DEBROMOHYMENIALDISINE
FB2 - [nb=1] --> BENZENESULFONAMIDE
MPZ - [nb=1] --> .....YL)AMINO]PHENYL}BENZAMIDE
C2V - [nb=1] --> .....]pyridazin-3-yl]benzamide
IAQ - [nb=1] --> .....YL}-N-METHYLBUT-2-ENAMIDE
1D1 - [nb=1] --> .....DIHYDROPTERIDIN-6(5H)-ONE
AYI - [nb=1] --> .....CYCLOPROPYL}PHENYL) ESTER
QUE - [nb=1] --> .....3',4'-PENTAHYDROXYFLAVONE
ED5 - [nb=1] --> .....)PIPERIDINE-1-CARBOXYLATE
3AM - [nb=1] --> .....-YL] DIHYDROGEN PHOSPHATE
AYQ - [nb=1] --> .....CYCLOPROPYL}PHENYL) ESTER
2FR - [nb=1] --> .....N-1-YL)PHENYL]PROPANAMIDE
ACE - [nb=1] --> ACETYL GROUP
AGS - [nb=1] --> .....ORIC ACID-ADENYLATE ESTER
DKI - [nb=1] --> .....TRIAZOLE-1-CARBOTHIOAMIDE
SAP - [nb=1] --> .....OSPHATE MONOTHIOPHOSPHATE
XYY - [nb=1] --> .....AZOL-5-YL) PROPANOIC ACID
3MN - [nb=1] --> .....-1-YL}METHYL)BENZONITRILE
DRN - [nb=1] --> BISINDOLYLMALEIMIDE IX
PP1 - [nb=1] --> .....3,4-D]PYRIMIDIN-4-YLAMINE
IHP - [nb=1] --> INOSITOL HEXAKISPHOSPHATE
FPP - [nb=1] --> FARNESYL DIPHOSPHATE
75K - [nb=1] --> .....O[3,4-D][1,3]OXAZOL-4-ONE
8E8 - [nb=1] --> .....peridin-1-yl]propan-1-one
YEN - [nb=1] --> .....HA-GLUTAMYL-L-ASPARTAMIDE
7DD - [nb=1] --> .....aadenosine-5'-diphosphate
937 - [nb=1] --> .....-G]INDAZOLE-3-CARBOXAMIDE
B91 - [nb=1] --> .....ROMETHYL)PHENYL]BENZAMIDE
7TM - [nb=1] --> .....HYL)PHENYL HEXYLCARBAMATE
NIL - [nb=1] --> Nilotinib
12O - [nb=1] --> .....YCLOHEXANECARBOXYLIC ACID
7LV - [nb=1] --> .....,5]naphthyridin-2(1H)-one
P35 - [nb=1] --> .....sulfonyl)benzene-1,3-diol
FII - [nb=1] --> .....)-METHYL]-PHOSPHONIC ACID
6FB - [nb=1] --> .....[3,4-g]quinazolin-2-amine
ACP - [nb=1] --> .....ONIC ACID ADENYLATE ESTER
7TO - [nb=1] --> .....TRIFLUOROMETHANESULFONATE
1J4 - [nb=1] --> .....LPIPERIDIN-4-YL)BENZAMIDE
FYI - [nb=1] --> .....AMOYLPROPYL}PHENYL) ESTER
S0W - [nb=1] --> .....LOROPHENYL)PROPANOIC ACID
9EJ - [nb=1] --> .....yl]pyridine-4-carboxamide
4E3 - [nb=1] --> .....inoline-6-carboxylic acid
1FR - [nb=1] --> .....N-3-YL)PHENYL]PROPAN-1-OL
7F9 - [nb=1] --> .....,4-bis(oxidanyl)benzamide
9ZP - [nb=1] --> .....ROPYL-3-METHOXY-BENZAMIDE
B49 - [nb=1] --> .....-1H-PYRROLE-3-CARBOXAMIDE
5CP - [nb=1] --> .....AMINO)PHENYL]ACETONITRILE
51M - [nb=1] --> .....olidine-3-carboxylic acid
939 - [nb=1] --> .....-1H-PYRROLE-3-CARBOXAMIDE
L6I - [nb=1] --> .....HYL)PHENYL)PROPANOIC ACID
AXI - [nb=1] --> AXITINIB
GRG - [nb=1] --> .....ERANYLGERANYL DIPHOSPHATE
FYQ - [nb=1] --> .....-GLUTAMINYL-L-ASPARTAMIDE
FUU - [nb=1] --> .....ETHYL)PHENOXY)ACETIC ACID
3FR - [nb=1] --> .....YL)BIPHENYL-2-CARBOXAMIDE
79C - [nb=1] --> .....lpiperidin-4-yl)benzamide
NBS - [nb=1] --> ..... ADENOSINE-5'-DIPHOSPHATE
S48 - [nb=1] --> .....L-4-YL)SULFONYL]GLYCINATE
3P1 - [nb=1] --> .....-YLMETHYL)AMINO]ADENOSINE
1NH - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
D15 - [nb=1] --> .....1H-INDAZOL-3-YL)BENZAMIDE
79D - [nb=1] --> .....lpiperidin-4-yl)benzamide
U66 - [nb=1] --> .....OADECOSINE-9-CARBONITRILE
1J3 - [nb=1] --> .....LPIPERAZIN-1-YL)BENZAMIDE
OOQ - [nb=1] --> .....umyl]-4-methyl-pentanoate
664 - [nb=1] --> .....RROLO[3,2-C]PYRIDIN-4-ONE
FSC - [nb=1] --> FUSICOCCIN
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
1433F_HUMAN
20
100%
0.63
PF00244
C1_S1
5 -
(0)
5
- /
1
/
2
3
2
2A5G_HUMAN
15
100%
0.58
PF01603
1 -
(0)
0
- / - / -
0
3
AAKB1_HUMAN
22
99%
0.53
PF04739
C1_S1
9 -
(0)
5
- / - /
8
2
4
AAKG1_HUMAN
25
100%
0.58
PF00571
C1_S1
48 -
(47)
7
1
/
9
/
10
4
5
AAKG2_HUMAN
24
78%
0.61
PF00571
C1_S1
48 -
(47)
8
2
/
11
/
11
2
6
AAPK1_HUMAN
25
99%
0.43
PF00069
C1_S1
21 -
(0)
10
6
/
6
/
2
5
7
ABI1_HUMAN
6
87%
0.43
PF07653
1 -
(0)
?
- / - / -
0
8
AIFM1_HUMAN
20
100%
0.82
PF07992
C1_S1
28 -
(0)
5
16
/ - / -
1
9
AP2A1_HUMAN
17
92%
0.56
PF02883
C1_S1
1 -
(0)
1
- / - /
1
1
10
ARP2_HUMAN
20
100%
0.57
PF00022
C3_S1
1 -
(0)
1
- /
1
/ -
1
11
ARP3_HUMAN
20
100%
0.56
PF00022
0 -
(0)
2
- / - / -
0
12
ARPC2_HUMAN
20
100%
0.73
PF04045
0 -
(0)
?
- / - / -
0
13
ARPC4_HUMAN
20
100%
0.60
PF05856
0 -
(0)
?
- / - / -
0
14
BCKD_HUMAN
25
98%
0.63
PF02518
C1_S1
23 -
(19)
8
- /
17
/
5
3
15
CB044_HUMAN
16
16%
0.39
PF00400
2 -
(0)
?
- / - / -
0
16
CCD33_HUMAN
15
23%
0.52
PF00168
3 -
(0)
?
- / - / -
0
17
CRK_HUMAN
21
100%
0.45
PF07653
4 -
(0)
2
- / - / -
0
18
CRKL_HUMAN
20
100%
0.44
PF07653
0 -
(0)
?
- / - / -
0
19
CSK_HUMAN
26
100%
0.58
PF00018
C1_S1
25 -
(3)
20
7
/
7
/
7
11
20
CYFP1_HUMAN
7
100%
0.54
PF05994
3 -
(0)
?
- / - / -
0
21
CYFP2_HUMAN
7
88%
0.54
PF05994
3 -
(0)
?
- / - / -
0
22
DCAF7_HUMAN
16
23%
0.39
PF00400
0 -
(0)
?
- / - / -
0
23
DYR1A_HUMAN
25
100%
0.52
PF00069
C1_S1
17 -
(0)
12
- /
5
/
4
5
24
ERH_HUMAN
7
100%
0.76
PF01133
0 -
(0)
?
- / - / -
0
25
FBX3_HUMAN
11
99%
0.62
PF04379
2 -
(0)
?
- / - / -
0
26
FNTB_HUMAN
22
100%
0.88
PF00432
C2_S1
38 -
(0)
20
- /
11
/
10
16
27
GBLP_HUMAN
20
100%
0.59
PF00400
1 -
(0)
?
- / - / -
0
28
GRB2_HUMAN
19
100%
0.56
PF00018
C1_S1
9 -
(0)
8
- /
5
/
1
5
29
GRP75_HUMAN
28
65%
0.56
PF00012
C2_S1
23 -
(0)
6
6
/
11
/
3
2
30
GRP78_HUMAN
26
100%
0.61
PF00012
C1_S1
22 -
(0)
11
5
/
14
/
2
7
31
HS105_HUMAN
22
41%
0.47
PF00012
C3_S1
19 -
(0)
7
- /
5
/
2
1
32
HS71A_HUMAN
26
100%
0.76
PF00012
C1_S1
22 -
(0)
10
3
/
13
/
5
4
33
HS71B_HUMAN
26
100%
0.76
PF00012
C1_S1
22 -
(0)
10
3
/
13
/
5
4
34
HS74L_HUMAN
19
38%
0.43
PF00012
C3_S1
18 -
(0)
9
- /
5
/
2
1
35
HSP72_HUMAN
26
100%
0.77
PF00012
C1_S1
28 -
(0)
8
2
/
15
/
4
0
36
HSP76_HUMAN
25
100%
0.78
PF00012
C1_S1
24 -
(0)
8
3
/
14
/
4
3
37
HSP7C_HUMAN
24
100%
0.80
PF00012
C1_S1
27 -
(0)
8
4
/
14
/
3
3
38
KCC2D_HUMAN
27
100%
0.46
PF00069
C1_S1
26 -
(6)
20
1
/
10
/
8
13
39
KEAP1_HUMAN
18
100%
0.54
PF01344
C2_S1
10 -
(0)
10
2
/
4
/
4
6
40
KI21B_HUMAN
27
52%
0.53
PF00225
C2_S1
24 -
(0)
5
2
/
13
/
3
3
41
KLHL7_HUMAN
20
100%
0.58
PF01344
C1_S1
12 -
(0)
1
- / - /
2
1
42
NCKP1_HUMAN
7
100%
0.59
PF09735
1 -
(0)
0
- / - / -
0
43
NGAP_HUMAN
10
67%
0.53
PF00616
2 -
(0)
1
- / - / -
0
44
P3H1_HUMAN
12
31%
0.45
PF01753
17 -
(0)
2
- / - / -
0
45
P5CR1_HUMAN
20
100%
0.45
PF14748
C1_S1
6 -
(0)
4
- /
1
/
1
0
46
P5CR2_HUMAN
20
89%
0.44
PF14748
C1_S1
7 -
(0)
4
- /
1
/
2
0
47
PAXI_HUMAN
13
69%
0.28
PF00412
0 -
(0)
?
- / - / -
0
48
PDIP2_HUMAN
7
33%
0.42
PF04379
2 -
(0)
?
- / - / -
0
49
PGAM5_HUMAN
20
100%
0.56
PF00300
6 -
(0)
2
- / - / -
0
50
PLK1_HUMAN
23
100%
0.55
PF00659
C1_S1
26 -
(2)
19
9
/
9
/
1
15
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