| Entry |
|
|---|
| Name |
Montirelin (INN) |
|---|
| Formula |
C17H24N6O4S
|
|---|
| Exact mass |
408.158
|
|---|
| Mol weight |
408.4753
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Thyrotropin-releasing hormone receptor agonist |
|---|
| Comment |
Thyrotropin-releasing hormone
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Thyrotropin-releasing hormone
TRHR
D02588 Montirelin (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 C8y C 24.5700 -14.7700
2 C8x C 25.9700 -14.7700
3 N5x N 26.3900 -13.4400
4 C8x C 25.2700 -12.6000
5 N4x N 24.1500 -13.4400
6 C1x C 27.5800 -15.5400
7 C1x C 28.0700 -16.8700
8 C1y C 26.8800 -17.7100
9 N1y N 25.7600 -16.8700
10 C1x C 26.1800 -15.5400
11 C5a C 24.5700 -17.5700
12 C1c C 23.3800 -16.8700
13 N1b N 22.1200 -17.5700
14 C5a C 20.9300 -16.8700
15 C1y C 19.7400 -17.5700
16 N1x N 18.4800 -16.8700
17 C5x C 17.2900 -17.5700
18 C1y C 17.2900 -18.9700
19 S2x S 18.4800 -19.6700
20 C1x C 19.7400 -18.9700
21 O5a O 20.9300 -15.4700
22 C1b C 23.3800 -15.4700
23 C5a C 26.8800 -19.1100
24 O5a O 25.6900 -19.8100
25 N1a N 28.1400 -19.8100
26 O5a O 24.5700 -18.9700
27 O5x O 16.1000 -16.8700
28 C1a C 16.1000 -19.6700
BOND 30
1 13 14 1
2 3 4 2
3 15 14 1 #Down
4 4 5 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 15 16 1
10 16 17 1
11 17 18 1
12 18 19 1
13 19 20 1
14 20 15 1
15 10 6 1
16 14 21 2
17 5 1 1
18 12 22 1 #Up
19 22 1 1
20 9 11 1
21 8 23 1 #Up
22 23 24 2
23 11 12 1
24 23 25 1
25 1 2 2
26 11 26 2
27 12 13 1
28 17 27 2
29 2 3 1
30 18 28 1 #Down
|
|---|
