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Example2
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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
3 ROCK2 related diseases
hsa05130
Pathogenic Escherichia coli infection
hsa05131
Shigellosis
hsa05132
Salmonella infection
Summary of query kinase
Query kinase
ROCK2 (
O75116
)
Kinase group
AGC
Number of conformation types
0
Number of structural templates
77 (
Total 455 inhibitors
)
Number of ROCK2 related diseases
3 (
hsa05130
hsa05131
hsa05132
)
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
42
2WMUA_ZYU
(CHEK1)
AGC
4-(9h-purin-...
I
6
17
19
A
2WMUA_ZYU
(CHEK1)
AGC
4-(9h-purin-...
I
6
17
19
6
17
19
A
2CKEA_IQU
(DAPK2)
AGC
AEIQS
I
10
17
22
10
17
22
A
3D9VA_H52
(ROCK1)
AGC
H-1152P
I
7
16
24
7
16
24
A
2R3NA_SCZ
(CDK2)
AGC
AC1LZZHM
I
46
175
57
46
175
57
A
2X39A_X39
(AKT2)
AGC
4-Amino-N-(4...
I
6
93
25
6
93
25
A
2ETKA_HFS
(ROCK1)
AGC
HMS2231N23
I
6
12
24
6
12
24
A
1AQ1A_STU
(CDK2)
AGC
staurosporine
I
195
76
118
195
76
118
A
1NVRA_STU
(CHEK1)
AGC
staurosporine
I
179
71
79
179
71
79
A
1XJDA_STU
(PRKCQ)
AGC
staurosporine
I
121
101
106
121
101
106
A
2WMVA_ZYV
(CHEK1)
AGC
purine, 10
I
6
18
23
6
18
23
A
3EJ1A_5BP
(CDK2)
AGC
AC1OCFRV
I
46
92
62
46
92
62
A
3EZVA_EZV
(CDK2)
AGC
EZV
I
36
194
65
36
194
65
A
2ETRA_Y27
(ROCK1)
AGC
y-27632
I
3
6
3
3
6
3
A
3F5XA_EZV
(CDK2)
AGC
EZV
I
36
194
65
36
194
65
A
1NVQA_UCN
(CHEK1)
AGC
UCN 02
I
179
65
79
179
65
79
A
1PKDA_UCN
(CDK2)
AGC
UCN 02
I
195
67
118
195
67
118
A
2B55A_D31
(CDK2)
AGC
D31
I
27
87
53
27
87
53
A
2C3LA_IDZ
(CHEK1)
AGC
IDZ
I
14
36
26
14
36
26
A
3KRWA_BA1
(ADRBK1)
AGC
balanol
I
17
127
29
17
127
29
A
2XEZA_XEZ
(CHEK1)
AGC
CAS396129_53_6
I
16
35
37
16
35
37
A
2VTTA_LZD
(CDK2)
AGC
pyrazole dia...
I
158
42
111
158
42
111
A
3E87A_G95
(AKT2)
AGC
AG_013736
I
9
42
28
9
42
28
A
2QHNA_582
(CHEK1)
AGC
AOBLVMINLZGC...
I
6
12
10
6
12
10
A
2JDOA_I5S
(AKT2)
AGC
I5S
I
10
22
29
10
22
29
A
2XEYA_YVQ
(CHEK1)
AGC
3-(Indol-2-y...
I
13
35
26
13
35
26
A
2X8EA_X8E
(CHEK1)
AGC
CAS318480_82_9
I
4
31
16
4
31
16
A
2XF0A_4UB
(CHEK1)
AGC
AC1LCX0J
I
12
32
26
12
32
26
A
1G5SA_I17
(CDK2)
AGC
H724
I
43
170
58
43
170
58
A
1H1SA_4SP
(CDK2)
AGC
nu6102
I
30
33
30
30
33
30
A
1OGUA_ST8
(CDK2)
AGC
ST8
I
31
21
34
31
21
34
A
3DOGA_NNN
(CDK2)
AGC
NSC743927
I
50
239
48
50
239
48
A
1OIYA_N41
(CDK2)
AGC
N41
I
33
49
34
33
49
34
A
2IW6A_QQ2
(CDK2)
AGC
2iw6
I
112
209
86
112
209
86
A
3BHUA_MHR
(CDK2)
AGC
Benzo[c][2,7...
I
11
13
27
11
13
27
A
1R78A_FMD
(CDK2)
AGC
4-alkynyl ox...
I
127
24
97
127
24
97
A
2XH5A_X37
(AKT2)
AGC
Roscovitine
I
8
28
39
8
28
39
A
2WMRA_ZYR
(CHEK1)
AGC
14346-24-8
I
2
2
3
2
2
3
A
3OT8A_MI5
(CHEK1)
AGC
VX_680
I
14
63
25
14
63
25
A
2IW8A_4SP
(CDK2)
AGC
nu6102
I
30
33
30
30
33
30
A
2IW9A_4SP
(CDK2)
AGC
nu6102
I
30
33
30
30
33
30
A
2C5OA_CK2
(CDK2)
AGC
CK2
I
7
6
14
7
6
14
A
3D0EA_G93
(AKT2)
AGC
9-N-ethyl-8-...
I
30
15
45
30
15
45
B
35
3NCZA_3NC
(ROCK1)
AGC
Cis-4-Amino-...
I
4
41
3
B
3NCZA_3NC
(ROCK1)
AGC
Cis-4-Amino-...
I
4
41
3
4
41
3
B
3OCBA_XM1
(AKT1)
AGC
XM1
I
10
99
23
10
99
23
B
2ESMA_M77
(ROCK1)
AGC
HMS2231N23
I
6
15
24
6
15
24
B
1JVPP_LIG
(CDK2)
AGC
ellipticine
I
17
30
45
17
30
45
B
2R3HA_SCE
(CDK2)
AGC
benzimidazoq...
I
15
40
39
15
40
39
B
2R3GA_SC9
(CDK2)
AGC
2r3j
I
30
137
50
30
137
50
B
3CQUA_CQU
(AKT1)
AGC
3cqu
I
7
15
27
7
15
27
B
3MV5A_XFE
(AKT1)
AGC
(3r)-1-(5-Me...
I
3
14
26
3
14
26
B
3MVJA_XFE
(PRKACA)
AGC
(3r)-1-(5-Me...
I
3
14
26
3
14
26
B
2VTSA_LZC
(CDK2)
AGC
DB08140
I
28
54
26
28
54
26
B
2EXMA_ZIP
(CDK2)
AGC
MLS000079197
I
12
22
32
12
22
32
B
3KRXA_BA1
(ADRBK1)
AGC
balanol
I
14
106
29
14
106
29
B
2R3FA_SC8
(CDK2)
AGC
2c68
I
22
62
43
22
62
43
B
3MVHA_WFE
(AKT1)
AGC
N-{[(3s)-3-A...
I
5
44
23
5
44
23
B
3L9NA_L9N
(PRKACA)
AGC
A_674563
I
10
63
36
10
63
36
B
3NYNA_SGV
(GRK6)
AGC
SMR000127424
I
54
7
47
54
7
47
B
2W4OA_DKI
(CAMK4)
AGC
5-AMINO-3-{[...
I
15
9
22
15
9
22
B
3AMAA_SKE
(PRKACA)
AGC
JNJ-7706621
I
46
26
35
46
26
35
B
2A4LA_RRC
(CDK2)
AGC
roscovitine
I
50
240
50
50
240
50
B
2FVDA_LIA
(CDK2)
AGC
[4-Amino-2-[...
I
39
16
29
39
16
29
B
3DDQA_RRC
(CDK2)
AGC
roscovitine
I
50
240
50
50
240
50
B
2R3IA_SCF
(CDK2)
AGC
2c68
I
23
89
43
23
89
43
B
2C68A_CT6
(CDK2)
AGC
2c68
I
23
73
43
23
73
43
B
1H07A_MFP
(CDK2)
AGC
AC1NAKJQ
I
90
241
80
90
241
80
B
2C69A_CT8
(CDK2)
AGC
CT8
I
22
62
38
22
62
38
B
3NS9A_NS9
(CDK2)
AGC
pyrazolo[1,5...
I
44
196
47
44
196
47
B
2R3JA_SCJ
(CDK2)
AGC
2r3j
I
27
99
49
27
99
49
B
2C6IA_DT1
(CDK2)
AGC
2c6i
I
27
41
48
27
41
48
B
3L9MA_L9M
(PRKACA)
AGC
VX_680
I
37
65
42
37
65
42
B
3PJ8A_404
(CDK2)
AGC
imidazo[2,1-...
I
47
223
49
47
223
49
B
2R3KA_SCQ
(CDK2)
AGC
2r3j
I
28
95
49
28
95
49
B
2C6OA_4SP
(CDK2)
AGC
nu6102
I
23
33
27
23
33
27
B
1H00A_FAP
(CDK2)
AGC
AC1NAE4F
I
50
94
75
50
94
75
B
1PXJA_CK2
(CDK2)
AGC
CK2
I
8
6
14
8
6
14
B
2VTAA_LZ1
(CDK2)
AGC
1H-Indazole
I
7
3
26
7
3
26