| Entry |
|
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| Name |
Dinoprostone betadex (JAN);
Prostarmon E (TN) |
|---|
| Formula |
(C42H70O35)x. C20H32O5
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Hormonal agent
DG01961 Prostaglandin derivative
DG01959 Prostaglandin E2 derivative
|
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| Remark |
| Product (DG00448): | D00079<JP/US> |
|
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| Efficacy |
Oxytocic, Prostaglandin E2 receptor agonist |
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| Structure map |
| map07228 | Eicosanoid receptor agonists/antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02A UTEROTONICS
G02AD Prostaglandins
G02AD02 Dinoprostone
D03269 Dinoprostone betadex (JAN)
Drug groups [BR:br08330]
Hormonal agent
DG01961 Prostaglandin derivative
DG01959 Prostaglandin E2 derivative
DG00448 Dinoprostone
D03269 Dinoprostone betadex
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGER2
D03269 Dinoprostone betadex (JAN)
Drug groups [BR:br08330]
Hormonal agent
DG01961 Prostaglandin derivative
DG01959 Prostaglandin E2 derivative
DG00448 Dinoprostone
|
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| Other DBs |
|
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| KCF data |
ATOM 102
1 C1y C 47.9500 -19.1800
2 C1y C 46.6200 -19.1100
3 C1y C 48.5800 -20.3700
4 O2x O 45.9200 -20.3000
5 C1b C 45.9200 -17.9900
6 C1y C 47.8800 -21.4900
7 O1a O 49.9800 -20.3700
8 C1y C 46.6200 -21.4900
9 O1a O 44.4500 -17.9900
10 O1a O 48.5800 -22.6800
11 O2a O 45.9900 -22.8200
12 C1y C 42.4200 -22.8200
13 O2a O 48.5800 -17.8500
14 C1y C 46.5500 -14.4900
15 O1a O 49.9100 -15.5400
16 C1y C 48.5100 -15.5400
17 C1y C 47.8800 -16.7300
18 C1y C 47.8800 -14.4900
19 O2x O 46.5500 -16.7300
20 O1a O 48.5800 -13.2300
21 C1y C 45.9200 -15.6100
22 C1b C 44.5900 -15.6100
23 O1a O 43.9600 -16.8000
24 O2a O 45.8500 -13.3000
25 C1y C 42.2800 -11.2700
26 C1y C 42.2800 -12.6000
27 C1y C 43.4700 -10.6400
28 O2x O 43.4000 -13.3000
29 C1b C 41.0900 -13.3000
30 C1y C 44.5900 -11.3400
31 O1a O 43.5400 -9.2400
32 C1y C 44.5900 -12.6000
33 O1a O 41.0900 -14.7700
34 O1a O 45.7800 -10.6400
35 O2a O 41.1600 -10.5700
36 O2a O 36.3300 -13.4400
37 C1y C 37.5900 -12.5300
38 C1y C 38.6400 -13.2300
39 C1y C 37.5900 -11.2000
40 O2x O 39.9000 -12.6700
41 C1b C 38.7100 -14.6300
42 C1y C 38.7800 -10.5700
43 O1a O 36.4700 -10.4300
44 C1y C 39.9000 -11.2700
45 O1a O 39.6200 -15.5400
46 O1a O 38.7800 -9.2400
47 O2a O 33.8100 -18.2700
48 C1y C 34.5100 -17.0100
49 C1y C 35.7700 -17.0100
50 C1y C 33.8100 -15.8900
51 O2x O 36.4700 -15.8200
52 C1b C 36.4700 -18.1300
53 C1y C 34.4400 -14.7000
54 O1a O 32.4100 -15.8200
55 C1y C 35.7000 -14.7000
56 O1a O 33.6700 -13.5800
57 C1y C 41.7200 -24.0100
58 C1y C 41.7200 -21.8400
59 O2x O 40.5300 -24.0100
60 C1b C 42.4900 -24.9200
61 C1y C 40.4600 -21.8400
62 O1a O 42.2800 -20.5800
63 C1y C 39.8300 -22.8900
64 O1a O 41.7900 -26.1800
65 O1a O 39.7600 -20.6500
66 O2a O 36.4700 -22.8900
67 C1y C 35.8400 -21.6300
68 O1a O 32.4800 -20.5800
69 C1y C 33.8800 -20.5800
70 C1y C 34.5100 -19.4600
71 C1y C 34.5100 -21.6300
72 O2x O 35.8400 -19.4600
73 O1a O 33.8100 -22.8900
74 C1y C 36.4700 -20.5800
75 C1b C 37.8000 -20.5800
76 O1a O 38.4300 -19.3900
77 O1a O 37.9400 -18.1300
78 C1y C 15.7500 -17.2900
79 C1y C 15.7500 -18.6900
80 C5x C 14.4200 -16.8700
81 C1b C 17.1500 -16.0300
82 C1y C 14.4900 -19.1100
83 C2b C 16.9400 -19.3900
84 C1x C 13.6500 -17.9900
85 O5x O 14.0000 -15.5400
86 C2b C 18.3400 -16.7300
87 O1a O 14.0000 -20.4400
88 C2b C 18.1300 -18.6900
89 C2b C 19.7400 -16.7300
90 C1c C 19.3200 -19.3900
91 C1b C 20.9300 -16.0300
92 C1b C 20.5100 -18.6900
93 O1a O 19.3200 -20.7200
94 C1b C 22.0500 -16.7300
95 C1b C 21.7000 -19.3900
96 C1b C 23.2400 -16.0300
97 C1b C 22.8900 -18.6900
98 C6a C 24.4300 -16.7300
99 C1b C 24.0800 -19.3900
100 O6a O 25.6900 -16.0300
101 O6a O 24.4300 -18.1300
102 C1a C 25.2700 -18.6900
BOND 109
1 12 11 1 #Down
2 21 22 1 #Down
3 22 23 1
4 17 13 1 #Up
5 37 36 1 #Up
6 37 38 1
7 37 39 1
8 38 40 1
9 38 41 1 #Down
10 39 42 1
11 39 43 1 #Down
12 40 44 1
13 41 45 1
14 42 46 1 #Up
15 44 35 1 #Up
16 42 44 1
17 1 2 1
18 14 24 1 #Up
19 1 3 1
20 2 4 1
21 2 5 1 #Down
22 3 6 1
23 3 7 1 #Down
24 4 8 1
25 5 9 1
26 6 10 1 #Up
27 48 47 1 #Up
28 48 49 1
29 48 50 1
30 49 51 1
31 49 52 1 #Down
32 50 53 1
33 50 54 1 #Down
34 51 55 1
35 53 56 1 #Up
36 53 55 1
37 6 8 1
38 16 15 1 #Up
39 25 26 1
40 25 27 1
41 26 28 1
42 26 29 1 #Down
43 27 30 1
44 27 31 1 #Down
45 28 32 1
46 29 33 1
47 12 57 1
48 12 58 1
49 57 59 1
50 57 60 1 #Up
51 58 61 1
52 58 62 1 #Up
53 59 63 1
54 60 64 1
55 61 65 1 #Down
56 63 66 1 #Down
57 61 63 1
58 30 34 1 #Up
59 67 66 1 #Up
60 32 24 1 #Up
61 30 32 1
62 16 17 1
63 25 35 1 #Up
64 16 18 1
65 17 19 1
66 18 14 1
67 69 68 1 #Up
68 69 70 1
69 69 71 1
70 70 72 1
71 71 67 1
72 71 73 1 #Down
73 72 74 1
74 67 74 1
75 18 20 1 #Down
76 74 75 1 #Down
77 19 21 1
78 75 76 1
79 70 47 1 #Up
80 55 36 1 #Up
81 1 13 1 #Up
82 8 11 1 #Up
83 14 21 1
84 52 77 1
85 78 79 1
86 78 80 1
87 78 81 1 #Down
88 79 82 1
89 79 83 1 #Up
90 80 84 1
91 80 85 2
92 81 86 1
93 82 87 1 #Down
94 83 88 2
95 86 89 2
96 88 90 1
97 89 91 1
98 90 92 1
99 90 93 1 #Down
100 91 94 1
101 92 95 1
102 94 96 1
103 95 97 1
104 96 98 1
105 97 99 1
106 98 100 1
107 98 101 2
108 99 102 1
109 82 84 1
BRACKET 1 30.2400 -27.7900 30.2400 -7.4900
1 52.7800 -7.4900 52.7800 -27.7900
1 x
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
1 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32
1 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
1 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64
1 65 66 67 68 69 70 71 72 73 74 75 76 77
REPEAT 1
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