| Entry |
|
|---|
| Name |
Napsagatran (USAN) |
|---|
| Formula |
C26H34N6O6S. H2O
|
|---|
| Exact mass |
576.2366
|
|---|
| Mol weight |
576.665
|
|---|
| Structure |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
|
|---|
| Efficacy |
Anticoagulant, Thrombin inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04610 | Complement and coagulation cascades |
| hsa04810 | Regulation of actin cytoskeleton |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
D03728 Napsagatran
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Serine peptidases
F2
D03728 Napsagatran (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 40
1 C1y C 38.8917 -20.7435
2 C1x C 38.8917 -22.1449
3 C1x C 40.0829 -22.8457
4 C1x C 41.3442 -22.1449
5 N1y N 41.3442 -20.7435
6 C1x C 40.0829 -20.0427
7 C2c C 42.5355 -20.0427
8 N1a N 43.7267 -20.7435
9 N2a N 42.5355 -18.6413
10 C1b C 37.7004 -20.0427
11 N1b N 36.4391 -20.7435
12 C5a C 35.2479 -20.0427
13 C1b C 34.0566 -20.7435
14 C1c C 32.7953 -20.0427
15 O5a O 35.2479 -18.6413
16 N1b N 31.6041 -20.7435
17 S4a S 30.3428 -20.0427
18 C8y C 29.1515 -20.8135
19 C8x C 27.9603 -20.1128
20 C8y C 26.7690 -20.8135
21 C8y C 26.7690 -22.2150
22 C8x C 27.9603 -22.9157
23 C8x C 29.1515 -22.2150
24 C8x C 25.5077 -20.1128
25 C8x C 24.3165 -20.8135
26 C8x C 24.3165 -22.2150
27 C8x C 25.5077 -22.9157
28 C5a C 32.7953 -18.6413
29 O5a O 33.9866 -17.9405
30 N1c N 31.6041 -17.9405
31 C1b C 31.6041 -16.5391
32 C1y C 30.2026 -17.9405
33 C1x C 29.0114 -17.2398
34 C1x C 29.0114 -18.6413
35 C6a C 30.3904 -15.8384
36 O6a O 30.3904 -14.4369
37 O6a O 29.1937 -16.5295
38 O3c O 31.5564 -19.3420
39 O3c O 29.1291 -19.3420
40 O0 O 49.2100 -20.7200
BOND 42
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 5 7 1
8 7 8 1
9 7 9 2
10 1 10 1 #Up
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 12 15 2
16 14 16 1
17 16 17 1
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 18 23 1
25 20 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 21 27 1
30 14 28 1 #Down
31 28 29 2
32 28 30 1
33 30 31 1
34 30 32 1
35 33 34 1
36 34 32 1
37 33 32 1
38 31 35 1
39 35 36 1
40 35 37 2
41 17 38 2
42 17 39 2
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|---|
