BioXGEM.
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Example1
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Diseases
Inhibitor-Anchor Map
Family Anchors
Kinase-Inhibitor Family
Template
Protein
Surface
Ribbon
Inhibitor
ATP Location
Pocket
ATP
NLP
HAP
CLP
SP
16 MAPK1 related diseases
hsa04930
Type II diabetes mellitus
hsa05020
Prion diseases
hsa05034
Alcoholism
hsa05131
Shigellosis
hsa05132
Salmonella infection
hsa05133
Pertussis
hsa05140
Leishmaniasis
hsa05142
Chagas disease (American trypanosomiasis)
hsa05145
Toxoplasmosis
hsa05152
Tuberculosis
hsa05160
Hepatitis C
hsa05164
Influenza A
hsa05215
Prostate cancer
hsa05218
Melanoma
hsa05220
Chronic myeloid leukemia
hsa05221
Acute myeloid leukemia
Summary of query kinase
Query kinase
MAPK1 (
P28482
)
Kinase group
CMGC
Number of conformation types
2
Number of structural templates
9 (
Total 107 inhibitors
)
Number of MAPK1 related diseases
16 (
hsa04930
hsa05020
hsa05034
hsa05131
hsa05132
hsa05133
hsa05140
hsa05142
...
)
Select
Template
Comformation
Type
No. of
Templates
Representative
Template
Kinase
Group
Representative
Inhibitor
Inhibitor
Type
No. of
Kinases
No. of
Inhibitors
No. of
Diseases
A
3
1WZYA_F29
(MAPK1)
CMGC
AC1O4W7N
I
27
48
33
A
1WZYA_F29
(MAPK1)
CMGC
AC1O4W7N
I
27
48
33
27
48
33
A
1PMEA_SB2
(MAPK1)
CMGC
SB 203580
I
16
31
26
16
31
26
A
3I5ZA_Z48
(MAPK1)
CMGC
Z48
I
12
64
26
12
64
26
B
6
1TVOA_FRZ
(MAPK1)
CMGC
FR-180204
I
9
17
23
B
1TVOA_FRZ
(MAPK1)
CMGC
FR-180204
I
9
17
23
9
17
23
B
2OJGA_19A
(MAPK1)
CMGC
Oprea1_828620
I
8
75
28
8
75
28
B
2E14A_FRR
(MAPK1)
CMGC
L-783279
I
6
6
21
6
6
21
B
2OJJA_82A
(MAPK1)
CMGC
Pyrrole Carb...
I
3
42
20
3
42
20
B
3I60A_E86
(MAPK1)
CMGC
pyrimidylpyr...
I
3
34
20
3
34
20
B
2OJIA_33A
(MAPK1)
CMGC
2oji
I
1
33
15
1
33
15