| Entry |
|
|---|
| Name |
Tonazocine mesylate (USAN) |
|---|
| Formula |
C23H35NO2. CH4SO3
|
|---|
| Exact mass |
453.2549
|
|---|
| Mol weight |
453.6352
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Analgesic, Opioid receptor agonist/antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Opioid
OPRM1
D06189 Tonazocine mesylate (USAN)
OPRK1
D06189 Tonazocine mesylate (USAN)
OPRD1
D06189 Tonazocine mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 O1d O 33.6969 -27.2881
2 S4a S 33.6969 -28.5322
3 C1a C 32.4529 -28.5322
4 O1d O 34.9411 -28.5322
5 O1d O 33.6969 -29.7763
6 C1z C 19.9500 -29.4000
7 C8y C 19.9500 -28.0700
8 C1z C 21.2100 -30.1000
9 C1a C 18.8300 -30.0300
10 C1x C 21.2100 -28.7700
11 C8x C 18.8300 -27.4400
12 C8y C 21.2100 -27.4400
13 C1y C 22.3300 -29.4000
14 C1x C 23.4500 -28.7700
15 C8y C 18.8300 -26.1100
16 C1x C 22.3300 -28.1400
17 C8x C 21.2100 -26.1100
18 N1y N 23.4500 -30.1000
19 C8x C 20.0200 -25.4100
20 O1a O 17.7100 -25.4100
21 C1a C 24.7100 -29.4000
22 C1b C 22.4224 -30.8000
23 C1b C 22.4224 -32.2000
24 C5a C 23.6180 -32.8903
25 C1b C 24.8052 -32.2048
26 C1b C 25.9966 -32.8928
27 C1b C 27.1859 -32.2061
28 C1b C 28.3762 -32.8934
29 C1a C 29.5661 -32.2064
30 C1a C 19.9976 -30.8000
31 O5a O 23.6181 -34.2997
BOND 32
1 1 2 2
2 2 3 1
3 2 4 1
4 2 5 2
5 6 7 1
6 6 8 1
7 6 9 1
8 6 10 1 #Up
9 7 11 2
10 7 12 1
11 8 13 1
12 10 14 1
13 11 15 1
14 12 16 1
15 12 17 2
16 13 18 1 #Up
17 15 19 2
18 15 20 1
19 13 16 1
20 14 18 1
21 17 19 1
22 18 21 1
23 8 22 1 #Down
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 8 30 1 #Up
32 24 31 2
|
|---|
