Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
MS2MODEL_SGK223 (2018 - Homo sapiens - Interactome SGK223 )
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Data.csv
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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]
50
PLK1_HUMAN
23
100%
0.55
PF00659
C1_S1
26 -
(2)
19
9
/
9
/
1
15
51
PLOD2_HUMAN
6
37%
0.56
PF01619
4 -
(0)
?
- / - / -
0
52
PLOD3_HUMAN
11
14%
0.39
PF00652
11 -
(8)
?
- / - / -
0
53
PP2BA_HUMAN
25
100%
0.69
PF00149
C2_S1
12 -
(0)
6
2
/ - /
2
3
54
SIAH1_HUMAN
17
100%
0.56
PF03145
C4_S1
7 -
(0)
4
- / - /
4
0
55
SIAH2_HUMAN
17
100%
0.50
PF03145
C2_S1
7 -
(0)
4
- / - /
4
0
56
STXB4_HUMAN
13
87%
0.54
PF00595
1 -
(0)
?
- / - / -
0
57
TIDC1_HUMAN
1
36%
0.20
PF01493
4 -
(0)
?
- / - / -
0
58
TNKS1_HUMAN
11
100%
0.62
PF07647
0 -
(0)
?
- / - / -
0
59
TNKS2_HUMAN
10
84%
0.62
PF00791
0 -
(0)
?
- / - / -
0
60
TRI27_HUMAN
20
51%
0.56
PF00643
11 -
(0)
0
- / - / -
0
61
UTS2_HUMAN
0
50%
0.48
PF03144
0 -
(0)
?
- / - / -
0
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