| Entry |
|
|---|
| Name |
Broizine (JAN);
Tagorizine |
|---|
| Formula |
C30H36N4O
|
|---|
| Exact mass |
468.2889
|
|---|
| Mol weight |
468.63
|
|---|
| Structure |
|
|---|
| Efficacy |
Antihistaminic, Vasodilator |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D09838 Broizine (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8x C 17.8500 -23.8000
2 C8x C 17.8500 -25.2000
3 C8x C 19.0624 -25.9000
4 C8x C 20.2749 -25.2000
5 C8y C 20.2749 -23.8000
6 C8x C 19.0624 -23.1000
7 C1c C 21.5060 -23.0890
8 C8y C 22.7112 -23.7847
9 C8x C 22.7116 -25.1996
10 C8x C 23.9242 -25.8993
11 C8x C 25.1365 -25.1989
12 C8x C 25.1360 -23.7839
13 C8x C 23.9234 -23.0843
14 N1y N 21.5057 -21.7001
15 C1x C 22.7062 -21.0066
16 C1x C 22.7059 -19.6066
17 N1y N 21.4933 -18.9069
18 C1x C 20.2928 -19.6004
19 C1x C 20.2931 -21.0004
20 C1b C 21.4929 -17.5000
21 C1b C 22.7030 -16.8010
22 C1b C 23.8978 -17.4906
23 C1b C 25.0852 -16.8048
24 N1b N 26.2767 -17.4925
25 C5a C 27.4657 -16.8057
26 C2b C 28.6564 -17.4930
27 O5a O 27.4656 -15.4002
28 C2b C 29.8459 -16.8060
29 C8y C 31.0364 -17.4932
30 C8x C 31.0366 -18.8997
31 N5x N 32.2492 -19.5995
32 C8y C 33.4615 -18.8993
33 C8x C 33.4612 -17.4927
34 C8x C 32.2487 -16.7929
35 C1a C 34.6732 -19.5986
BOND 38
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 17 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 25 27 2
30 26 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 29 34 1
38 32 35 1
|
|---|