| Entry |
|
|---|
| Name |
Dihydroergocryptine |
|---|
| Formula |
C32H43N5O5
|
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| Exact mass |
577.3264
|
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| Mol weight |
577.71
|
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| Structure |
|
|---|
| Simcomp |
|
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| Class |
Neuropsychiatric agent
DG01964 Ergot alkaloid
|
|---|
| Remark |
|
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| Efficacy |
Antiparkinsonian, Vasodilator, Dopamine receptor agonist |
|---|
| Comment |
Ergot alkaloid
|
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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 |
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| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01964 Ergot alkaloid
DG01329 Dihydroergocryptine
D07835 Dihydroergocryptine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D07835 Dihydroergocryptine
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01964 Ergot alkaloid
DG01329 Dihydroergocryptine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 42
1 C1z C 26.8800 -15.9600
2 N1y N 26.8800 -17.2200
3 C1y C 28.0000 -15.3300
4 O2x O 25.7600 -15.3300
5 O1a O 26.8800 -14.0000
6 C1y C 28.0000 -17.9200
7 C5x C 24.6400 -17.2900
8 N1y N 29.1200 -15.9600
9 C1x C 28.0000 -14.0000
10 C1z C 24.6400 -15.9600
11 C5x C 29.1200 -17.2200
12 O5x O 23.6600 -18.2000
13 C1x C 30.2400 -15.3300
14 C1x C 30.2400 -14.0000
15 N1b N 22.9600 -15.2600
16 C1c C 24.6400 -13.5100
17 O5x O 30.2400 -17.9200
18 C5a C 21.4900 -15.9600
19 C1y C 21.4900 -17.2200
20 O5a O 20.3700 -15.2600
21 C1x C 20.3700 -17.9200
22 C1x C 22.6100 -17.9200
23 C1y C 20.3700 -19.1800
24 N1y N 22.6100 -19.1800
25 C8y C 19.2500 -19.8100
26 C1y C 21.4900 -19.8100
27 C1a C 23.7300 -19.8100
28 C8y C 19.2500 -21.1400
29 C8x C 18.1300 -19.1800
30 C1x C 21.4900 -21.1400
31 C8y C 20.3700 -21.7700
32 C8y C 18.1300 -21.7700
33 C8x C 17.0100 -19.8100
34 C8x C 20.3700 -23.1000
35 N4x N 18.1300 -23.1000
36 C8x C 17.0100 -21.1400
37 C1a C 25.8300 -12.8100
38 C1a C 23.4500 -12.8100
39 C1b C 28.0000 -19.3200
40 C1c C 29.2124 -20.0200
41 C1a C 30.4079 -19.3296
42 C1a C 29.2125 -21.4198
BOND 48
1 4 10 1
2 6 11 1
3 7 12 2
4 8 13 1
5 9 14 1
6 10 15 1
7 10 16 1 #Up
8 11 17 2
9 15 18 1
10 19 18 1 #Up
11 18 20 2
12 19 21 1
13 19 22 1
14 21 23 1
15 22 24 1
16 23 25 1
17 23 26 1
18 24 27 1
19 25 28 1
20 25 29 2
21 26 30 1
22 28 31 1
23 28 32 2
24 29 33 1
25 31 34 2
26 32 35 1
27 32 36 1
28 7 10 1
29 8 11 1
30 13 14 1
31 24 26 1
32 30 31 1
33 33 36 2
34 34 35 1
35 16 37 1
36 16 38 1
37 1 2 1
38 1 3 1
39 1 4 1
40 1 5 1 #Down
41 2 6 1
42 2 7 1
43 3 8 1
44 3 9 1
45 6 39 1 #Down
46 39 40 1
47 40 41 1
48 40 42 1
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