| Entry |
|
|---|
| Name |
Spiradoline mesylate (USAN) |
|---|
| Formula |
C22H30Cl2N2O2. CH4SO3
|
|---|
| Exact mass |
520.1565
|
|---|
| Mol weight |
521.4975
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01562 kappa-Opioid receptor agonist
|
|---|
| Efficacy |
Analgesic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Structure map |
| map07224 | Opioid receptor agonists/antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01564 Opioid receptor agonist
DG01562 kappa-Opioid receptor agonist
D05907 Spiradoline mesylate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRK1
D05907 Spiradoline mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C1y C 25.1379 -20.6264
2 C1x C 25.1380 -22.0335
3 C1x C 26.3493 -22.7327
4 C1z C 27.5605 -22.0333
5 C1x C 27.5603 -20.6261
6 C1y C 26.3490 -19.9270
7 C8y C 17.9076 -20.6352
8 C8y C 17.9076 -22.0338
9 C8x C 19.1188 -22.7331
10 C8x C 20.3301 -22.0338
11 C8y C 20.3301 -20.6352
12 C8x C 19.1188 -19.9359
13 X Cl 16.6964 -19.9359
14 X Cl 16.6964 -22.7331
15 C1b C 21.5599 -19.9249
16 C5a C 22.7639 -20.6199
17 N1c N 23.9451 -19.9378
18 O5a O 22.7643 -22.0334
19 C1a C 23.9451 -18.5375
20 N1y N 26.3490 -18.5374
21 C1x C 27.4936 -17.7056
22 C1x C 27.0562 -16.3600
23 C1x C 25.6412 -16.3601
24 C1x C 25.2041 -17.7058
25 O2x O 27.7068 -23.4244
26 C1x C 29.0753 -23.7151
27 C1x C 29.7746 -22.5037
28 C1x C 28.8384 -21.4642
29 O1d O 33.0021 -19.1896
30 S4a S 33.0021 -20.5842
31 C1a C 31.6077 -20.5842
32 O1d O 34.3968 -20.5842
33 O1d O 33.0021 -21.9787
BOND 35
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 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 7 13 1
14 8 14 1
15 11 15 1
16 15 16 1
17 16 17 1
18 16 18 2
19 17 19 1
20 1 17 1 #Down
21 6 20 1 #Up
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 20 24 1
27 25 26 1
28 26 27 1
29 27 28 1
30 4 25 1 #Up
31 4 28 1 #Down
32 29 30 2
33 30 31 1
34 30 32 1
35 30 33 2
|
|---|
