| Entry |
|
|---|
| Name |
Ciprostene calcium (USAN)
|
|---|
| Formula |
(C22H35O4)2. Ca
|
|---|
| Exact mass |
766.4697
|
|---|
| Mol weight |
767.0998
|
|---|
| Structure |
|
|---|
| Class |
Cardiovascular agent
DG01810 Prostacycline derivative
Other
DG01961 Prostaglandin derivative
DG01810 Prostacycline derivative
DG02573 Prostanoid derivative
DG01961 Prostaglandin derivative
DG01810 Prostacycline derivative
|
|---|
| Efficacy |
Platelet aggregation inhibitor |
|---|
| Comment |
Prostacycline derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostacyclin
PTGIR
D03522 Ciprostene calcium (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 53
1 Z Ca 28.0000 -28.4900 #2+
2 C1y C 37.7300 -36.2600
3 C1y C 37.7300 -34.8600
4 C1z C 36.4000 -34.4400
5 C1x C 35.5600 -35.5600
6 C1y C 36.4000 -36.6800
7 C1x C 38.5700 -33.7400
8 C2y C 37.7300 -32.6200
9 C1x C 36.4000 -33.0400
10 C2b C 38.9200 -36.9600
11 C2b C 40.1800 -36.2600
12 C1c C 41.3700 -36.9600
13 C1b C 42.5600 -36.2600
14 C1b C 43.8200 -36.9600
15 C1b C 45.0100 -36.2600
16 C1b C 46.2000 -36.9600
17 C1a C 47.4600 -36.2600
18 C2b C 38.1500 -31.2900
19 C1b C 37.2400 -30.2400
20 C1b C 35.8400 -30.5200
21 C1b C 34.9300 -29.4700
22 C6a C 33.5300 -29.7500
23 O6a O 32.6200 -28.7000 #-
24 O1a O 35.9800 -38.0100
25 C1a C 35.2100 -33.7400
26 O6a O 33.1100 -31.0800
27 O1a O 41.3700 -38.3600
28 C1y C 37.7300 -36.2600
29 C1y C 37.7300 -34.8600
30 C1z C 36.4000 -34.4400
31 C1x C 35.5600 -35.5600
32 C1y C 36.4000 -36.6800
33 O1a O 35.9800 -38.0100
34 C1x C 36.4000 -33.0400
35 C2y C 37.7300 -32.6200
36 C1x C 38.5700 -33.7400
37 C2b C 38.1500 -31.2900
38 C1b C 37.2400 -30.2400
39 C1b C 35.8400 -30.5200
40 C1b C 34.9300 -29.4700
41 C6a C 33.5300 -29.7500
42 O6a O 32.6200 -28.7000 #-
43 O6a O 33.1100 -31.0800
44 C1a C 35.2100 -33.7400
45 C2b C 38.9200 -36.9600
46 C2b C 40.1800 -36.2600
47 C1c C 41.3700 -36.9600
48 C1b C 42.5600 -36.2600
49 C1b C 43.8200 -36.9600
50 C1b C 45.0100 -36.2600
51 C1b C 46.2000 -36.9600
52 C1a C 47.4600 -36.2600
53 O1a O 41.3700 -38.3600
BOND 54
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 3 7 1 #Down
7 7 8 1
8 8 9 1
9 4 9 1
10 2 10 1 #Up
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 8 18 2
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 6 24 1 #Down
25 4 25 1 #Up
26 22 26 2
27 12 27 1 #Down
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 28 32 1
33 29 36 1 #Down
34 36 35 1
35 35 34 1
36 30 34 1
37 28 45 1 #Up
38 45 46 2
39 46 47 1
40 47 48 1
41 48 49 1
42 49 50 1
43 50 51 1
44 51 52 1
45 35 37 2
46 37 38 1
47 38 39 1
48 39 40 1
49 40 41 1
50 41 42 1
51 32 33 1 #Down
52 30 44 1 #Up
53 41 43 2
54 47 53 1 #Down
BRACKET 1 31.4300 -39.4100 31.4300 -27.6500
1 49.6300 -27.6500 49.6300 -39.4100
1 2
ORIGINAL 1 2 3 4 5 6 24 9 8 7 18 19 20 21 22 23 26
1 25 10 11 12 13 14 15 16 17 27
REPEAT 1 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43
1 44 45 46 47 48 49 50 51 52 53
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|---|
