| Entry |
|
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| Name |
Gitoformate (INN) |
|---|
| Formula |
C46H64O19
|
|---|
| Exact mass |
920.4042
|
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| Mol weight |
920.99
|
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| Structure |
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| Simcomp |
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| Class |
|
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| Remark |
|
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| Efficacy |
Cardiotonic |
|---|
| Comment |
Digitalis glycoside
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
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| Interaction |
|
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01A CARDIAC GLYCOSIDES
C01AA Digitalis glycosides
C01AA09 Gitoformate
D07147 Gitoformate (INN)
Drug groups [BR:br08330]
Cardiovascular agent
DG01703 Cardiotonic
DG01698 Cardiac glycoside
DG01697 Digitalis cardiac glycoside
D07147 Gitoformate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP1A
D07147 Gitoformate (INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 65
1 C1x C 25.5049 -15.2838
2 C1y C 25.5049 -16.6850
3 C1y C 26.6959 -17.3857
4 C1z C 27.9570 -16.6850
5 C1z C 27.9570 -15.2838
6 C1x C 26.6959 -14.5832
7 C1z C 24.3138 -17.3857
8 C1y C 24.3138 -18.7869
9 C1x C 25.5049 -19.4875
10 C1x C 26.6959 -18.7869
11 C1x C 23.0527 -16.6850
12 C1x C 21.8617 -17.3857
13 C1y C 21.8617 -18.7869
14 C1x C 23.0527 -19.4875
15 O1a O 27.9570 -18.0863
16 C1a C 27.9570 -13.8826
17 C1a C 24.3138 -15.9844
18 O2a O 20.6454 -19.4826
19 C1y C 19.4559 -18.7892
20 O2x O 19.4617 -17.3858
21 C1y C 18.2511 -16.6801
22 C1y C 17.0347 -17.3757
23 C1y C 17.0289 -18.7791
24 C1x C 18.2395 -19.4848
25 C1a C 18.2567 -15.2843
26 O2a O 15.8082 -19.4772
27 O2a O 15.8232 -16.6695
28 C1y C 14.6102 -17.3631
29 C7a C 15.8021 -20.8883
30 O6a O 14.6115 -21.5691
31 C1x C 13.3842 -16.6479
32 C1y C 12.1675 -17.3431
33 C1y C 12.1613 -18.7443
34 C1y C 13.3875 -19.4596
35 O2x O 14.6040 -18.7643
36 C1a C 13.3812 -20.8887
37 O2a O 10.9806 -19.4187
38 C1y C 9.7862 -18.7215
39 O2x O 9.7927 -17.3157
40 C1y C 8.5825 -16.6095
41 C1y C 7.3658 -17.3044
42 C1y C 7.3592 -18.7102
43 C1x C 8.5694 -19.4164
44 O2a O 10.9650 -16.6414
45 C7a C 10.9650 -15.2402
46 C1a C 8.5889 -15.2143
47 O2a O 6.1556 -16.5981
48 C7a C 4.9412 -17.2917
49 O6a O 3.7166 -16.5766
50 O2a O 6.1396 -19.4067
51 O6a O 9.7153 -14.5192
52 C7a C 4.9554 -18.7155
53 O6a O 3.7545 -19.4014
54 C1x C 30.3819 -16.6850
55 C1y C 30.3819 -15.2838
56 C1y C 29.1694 -14.5838
57 C2y C 29.1691 -13.1602
58 C2x C 30.3151 -12.3269
59 C7x C 29.8768 -10.9794
60 O7x O 28.4598 -10.9799
61 C1x C 28.0224 -12.3277
62 O6a O 30.6988 -9.8472
63 O2a O 31.6032 -14.5789
64 C7a C 32.7825 -15.2600
65 O6a O 33.9780 -14.5697
BOND 72
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 7 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 8 14 1
17 4 15 1
18 5 16 1
19 7 17 1
20 13 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 21 25 1
29 23 26 1
30 22 27 1
31 27 28 1
32 26 29 1
33 29 30 2
34 28 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 28 35 1
40 34 36 1
41 33 37 1
42 37 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 41 42 1
47 42 43 1
48 38 43 1
49 32 44 1
50 44 45 1
51 40 46 1
52 41 47 1
53 47 48 1
54 48 49 2
55 42 50 1
56 45 51 2
57 50 52 1
58 52 53 2
59 4 54 1
60 54 55 1
61 55 56 1
62 5 56 1
63 56 57 1
64 57 58 2
65 58 59 1
66 59 60 1
67 60 61 1
68 57 61 1
69 59 62 2
70 55 63 1
71 63 64 1
72 64 65 2
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