| Entry |
|
|---|
| Name |
Melagatran (INN) |
|---|
| Formula |
C22H31N5O4
|
|---|
| Exact mass |
429.2376
|
|---|
| Mol weight |
429.51
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Anticoagulant, Thrombin inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04610 | Complement and coagulation cascades |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AE Direct thrombin inhibitors
B01AE04 Melagatran
D07143 Melagatran (INN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01511 Thrombin inhibitor
D07143 Melagatran
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
F2a
D07143 Melagatran (INN)
Prodrugs [br08324.html]
D07143
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 31
1 C1y C 31.2900 -18.7600
2 C1x C 32.4800 -19.4600
3 C1x C 32.4800 -20.8600
4 C1x C 31.2900 -21.6300
5 C1x C 30.0300 -20.8600
6 C1x C 30.0300 -19.4600
7 C8y C 20.0900 -18.7600
8 C8x C 20.0900 -17.3600
9 C8x C 21.2800 -16.6600
10 C8y C 22.5400 -17.3600
11 C8x C 22.5400 -18.7600
12 C8x C 21.2800 -19.4600
13 C2c C 18.8300 -19.4600
14 N1a N 17.6400 -18.7600
15 C1b C 23.7300 -16.6600
16 N1b N 24.9900 -17.3600
17 C5a C 26.1800 -16.6600
18 N2a N 18.8300 -20.8600
19 O5a O 26.1800 -15.2600
20 C1y C 27.4400 -17.3600
21 N1y N 28.8400 -17.3600
22 C1x C 28.8400 -18.6200
23 C1x C 27.5100 -18.6200
24 C5a C 30.0300 -16.6600
25 C1c C 31.2900 -17.3600
26 N1b N 32.4800 -16.6600
27 C1b C 33.6700 -17.3600
28 C6a C 34.9300 -16.6600
29 O6a O 36.1200 -17.3600
30 O5a O 30.0300 -15.2600
31 O6a O 34.9300 -15.2600
BOND 33
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 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 7 13 1
14 13 14 1
15 10 15 1
16 15 16 1
17 16 17 1
18 13 18 2
19 17 19 2
20 20 21 1
21 21 22 1
22 22 23 1
23 20 23 1
24 21 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 24 30 2
31 28 31 2
32 20 17 1 #Up
33 25 1 1 #Down
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