| Entry |
|
|---|
| Name |
Amesergide (USAN/INN) |
|---|
| Formula |
C25H35N3O
|
|---|
| Exact mass |
393.2780
|
|---|
| Mol weight |
393.56
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01964 Ergot alkaloid
|
|---|
| Efficacy |
Antidepressant, Serotonin receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01964 Ergot alkaloid
D02893 Amesergide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR2A
D02893 Amesergide (USAN/INN)
HTR2C
D02893 Amesergide (USAN/INN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 C8x C 3.8500 -16.1000
2 C8x C 3.8500 -17.5000
3 C8y C 5.0624 -18.2000
4 C8y C 6.2749 -17.5000
5 C8y C 6.2749 -16.1000
6 C8x C 5.0624 -15.4000
7 C8y C 7.4873 -18.2000
8 C1x C 8.6997 -17.5000
9 C1y C 8.6997 -16.1000
10 C1y C 7.4873 -15.4000
11 N1y N 9.9122 -15.4000
12 C1x C 9.9122 -14.0000
13 C1y C 8.6997 -13.3000
14 C1x C 7.4873 -14.0000
15 N4y N 5.0624 -19.5998
16 C8x C 7.4873 -19.6000
17 C1c C 4.0613 -20.6011
18 C1a C 2.7026 -20.2372
19 C1a C 4.4185 -21.9333
20 C1a C 11.1453 -16.1122
21 C5a C 8.6997 -11.9001
22 O5a O 7.4725 -11.1915
23 N1b N 9.8973 -11.2086
24 C1y C 11.0855 -11.8946
25 C1x C 11.0856 -13.2998
26 C1x C 12.2981 -13.9997
27 C1x C 13.5105 -13.2997
28 C1x C 13.5104 -11.8945
29 C1x C 12.2979 -11.1946
BOND 33
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 3 15 1
18 7 16 2
19 15 16 1
20 15 17 1
21 17 18 1
22 17 19 1
23 11 20 1
24 13 21 1 #Up
25 21 22 2
26 21 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 24 29 1
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