| Entry |
|
|---|
| Name |
Montirelin hydrate (JAN) |
|---|
| Formula |
C17H24N6O4S. 4H2O
|
|---|
| Exact mass |
480.2002
|
|---|
| Mol weight |
480.5364
|
|---|
| 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
D09845 Montirelin hydrate (JAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C8y C 30.1700 -27.5100
2 C8x C 31.5700 -27.5100
3 N5x N 31.9900 -26.1800
4 C8x C 30.8700 -25.3400
5 N4x N 29.7500 -26.1800
6 C1x C 33.1800 -28.2800
7 C1x C 33.6700 -29.6100
8 C1y C 32.4800 -30.4500
9 N1y N 31.3600 -29.6100
10 C1x C 31.7800 -28.2800
11 C5a C 30.1700 -30.3100
12 C1c C 28.9800 -29.6100
13 N1b N 27.7200 -30.3100
14 C5a C 26.5300 -29.6100
15 C1y C 25.3400 -30.3100
16 N1x N 24.0800 -29.6100
17 C5x C 22.8900 -30.3100
18 C1y C 22.8900 -31.7100
19 S2x S 24.0800 -32.4100
20 C1x C 25.3400 -31.7100
21 O5a O 26.5300 -28.2100
22 C1b C 28.9800 -28.2100
23 C5a C 32.4800 -31.8500
24 O5a O 31.2900 -32.5500
25 N1a N 33.7400 -32.5500
26 O5a O 30.1700 -31.7100
27 O5x O 21.7000 -29.6100
28 C1a C 21.7000 -32.4100
29 O0 O 25.2700 -25.4100
30 O0 O 25.2700 -25.4100
31 O0 O 25.2700 -25.4100
32 O0 O 25.2700 -25.4100
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
BRACKET 1 23.5200 -25.9700 23.5200 -24.8500
1 25.7600 -24.8500 25.7600 -25.9700
1 4
ORIGINAL 1 29
REPEAT 1 30 31 32
|
|---|
