| Entry |
|
|---|
| Name |
Sivelestat (USAN/INN) |
|---|
| Formula |
C20H22N2O7S
|
|---|
| Exact mass |
434.1148
|
|---|
| Mol weight |
434.46
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (DG01401): | D01918<JP> |
|
|---|
| Efficacy |
Anti-inflammatory disease, Elastase inhibitor |
|---|
| Comment |
Treatment of acute lung injury, Acute respiratory distress syndrome
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
ELANE
D03788 Sivelestat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 30.5900 -18.2000
2 S4a S 31.7800 -17.5000
3 C8x C 30.5900 -19.6000
4 C8x C 29.4700 -17.5000
5 N1b N 32.9700 -18.2000
6 C8x C 29.4700 -20.2300
7 C8x C 28.2800 -18.2000
8 C8y C 34.1600 -17.5000
9 C8y C 28.2800 -19.6000
10 C8x C 34.1600 -16.1700
11 C8y C 35.3500 -18.2000
12 O7a O 27.0900 -20.2300
13 C8x C 35.3500 -15.4700
14 C8x C 36.5400 -17.5000
15 C7a C 25.6900 -19.5300
16 C8x C 36.5400 -16.1700
17 C1d C 24.3600 -20.3000
18 C1a C 24.3600 -21.8400
19 C1a C 23.0300 -19.5300
20 C5a C 35.3500 -19.5300
21 O5a O 34.1600 -20.2300
22 N1b N 36.5400 -20.2300
23 C1b C 37.6600 -19.5300
24 C6a C 38.8500 -20.2300
25 O6a O 40.0400 -19.5300
26 O6a O 38.8500 -21.5600
27 O6a O 25.6900 -17.9900
28 C1a C 23.0300 -21.0700
29 O3c O 31.7800 -16.1000
30 O3c O 31.7800 -18.9000
BOND 31
1 2 5 1
2 3 6 2
3 4 7 1
4 5 8 1
5 6 9 1
6 8 10 1
7 8 11 2
8 9 12 1
9 10 13 2
10 11 14 1
11 12 15 1
12 13 16 1
13 15 17 1
14 17 18 1
15 17 19 1
16 7 9 2
17 14 16 2
18 11 20 1
19 20 21 2
20 20 22 1
21 22 23 1
22 23 24 1
23 24 25 1
24 1 2 1
25 24 26 2
26 1 3 1
27 15 27 2
28 1 4 2
29 17 28 1
30 2 29 2
31 2 30 2
|
|---|
