| Entry |
|
|---|
| Name |
Brensocatib hydrate (JAN) |
|---|
| Formula |
C23H24N4O4. H2O
|
|---|
| Exact mass |
438.1903
|
|---|
| Mol weight |
438.48
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Lung disease therapeutic agent, Cathepsin C inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Cysteine peptidases
Papain family
CTSC (DPP1)
D12746 Brensocatib hydrate (JAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8x C 22.0491 -13.1594
2 C8y C 22.0491 -14.5594
3 C8x C 23.2390 -15.2594
4 C8y C 24.4990 -14.5594
5 C8y C 24.4990 -13.1594
6 C8x C 23.2390 -12.3895
7 N4y N 25.8289 -14.9794
8 C8y C 26.5989 -13.8594
9 O7x O 25.8289 -12.7395
10 O6a O 27.9988 -13.8594
11 C8y C 20.8591 -15.2594
12 C8x C 19.6692 -14.5594
13 C8x C 18.4092 -15.2594
14 C8y C 18.4092 -16.6593
15 C8x C 19.5992 -17.3593
16 C8x C 20.8591 -16.6593
17 C1b C 17.1493 -17.3593
18 C1c C 15.9593 -16.6593
19 N1b N 14.7694 -17.3593
20 C3b C 15.9593 -15.2594
21 C5a C 13.5794 -16.6593
22 C1y C 12.3895 -17.3593
23 O5a O 13.5794 -15.2594
24 O2x O 11.2695 -16.4493
25 C1x C 9.9396 -16.7993
26 C1x C 9.3096 -18.0592
27 C1x C 12.3895 -18.7592
28 C1x C 9.9396 -19.3192
29 N1x N 11.2695 -19.5992
30 N3a N 15.9593 -13.8594
31 C1a C 26.2489 -16.3093
32 O0 O 27.1600 -19.8800
BOND 34
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 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 2
12 2 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 17 18 1
21 18 19 1
22 18 20 1 #Down
23 19 21 1
24 22 21 1 #Down
25 21 23 2
26 25 26 1
27 22 27 1
28 26 28 1
29 24 25 1
30 27 29 1
31 22 24 1
32 28 29 1
33 20 30 3
34 7 31 1
|
|---|
