| Entry |
|
|---|
| Name |
Bersiporocin hydrochloride (USAN) |
|---|
| Formula |
C15H19Cl2N3O. HCl
|
|---|
| Exact mass |
363.0672
|
|---|
| Mol weight |
364.69
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antifibrotic, Prolyl-tRNA synthetase 1 inhibitor |
|---|
| Comment |
Treatment of idiopathic pulmonary fibrosis, systemic sclerosis and associtated complications
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Ligases (EC6)
Aminoacyl tRNA synthase
EPRS1
D12795 Bersiporocin hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 22
1 C1x C 24.9360 -17.4135
2 C1x C 24.9360 -15.9508
3 N1x N 23.7519 -15.2543
4 C1y C 22.4982 -15.9508
5 C1y C 22.4982 -17.4135
6 C1x C 23.7519 -18.1100
7 C1b C 21.3141 -15.2543
8 C1b C 20.1300 -15.9508
9 C1b C 18.8762 -15.2543
10 N4y N 17.6921 -15.9508
11 C8y C 16.4384 -15.3936
12 C8y C 15.5329 -16.3687
13 N5x N 16.1598 -17.6225
14 C8x C 17.5528 -17.3439
15 C8x C 16.0205 -14.0702
16 C8x C 14.6274 -13.7916
17 C8y C 13.7219 -14.7667
18 C8y C 14.1398 -16.0901
19 X Cl 13.2344 -17.2046
20 X Cl 12.3289 -14.4881
21 O1a O 21.3141 -18.1100
22 X Cl 27.3000 -17.5000
BOND 23
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 4 7 1 #Up
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 2
15 10 14 1
16 11 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 12 18 2
21 18 19 1
22 17 20 1
23 5 21 1 #Down
|
|---|
