Entry |
|
Name |
Darexaban maleate (JAN); YM150 |
Formula |
C27H30N4O4. C4H4O4
|
Exact mass |
590.2377
|
Mol weight |
590.62
|
Structure |
|
Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
|
Efficacy |
Anticoagulant, Antithrombotic, Factor Xa inhibitor |
Target |
|
Pathway |
hsa04610 | Complement and coagulation cascades |
|
Interaction |
|
Structure map |
|
Brite |
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
D09817 Darexaban maleate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Serine peptidases
F10
D09817 Darexaban maleate (JAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 43
1 C1x C 16.8700 -26.6700
2 C1x C 17.9900 -25.7600
3 N1y N 19.3200 -26.1100
4 C1x C 19.9500 -27.3700
5 C1x C 16.8700 -28.0700
6 C1x C 19.3200 -28.6300
7 N1y N 17.9900 -28.9100
8 C8x C 20.5100 -24.0100
9 C8y C 20.5100 -25.4100
10 C8x C 21.7000 -26.1100
11 C8x C 22.9600 -25.4100
12 C8y C 22.9600 -24.0100
13 C8x C 21.7000 -23.3100
14 C5a C 24.1500 -23.3100
15 N1b N 25.3400 -24.0100
16 C8y C 26.5300 -23.3100
17 O5a O 24.1500 -22.0500
18 C8y C 27.7200 -24.0100
19 C8x C 28.9800 -23.3100
20 C8x C 28.9800 -21.9100
21 C8x C 27.7900 -21.2100
22 C8y C 26.5300 -21.9100
23 N1b N 27.7200 -25.4100
24 C5a C 28.9100 -26.1100
25 C8y C 30.1000 -25.4100
26 O5a O 28.9100 -27.5100
27 C8x C 31.2900 -26.1100
28 C8x C 32.5500 -25.4100
29 C8y C 32.5500 -24.0100
30 C8x C 31.3600 -23.3100
31 C8x C 30.1000 -24.0100
32 O2a O 33.7400 -23.3100
33 C1a C 34.9300 -24.0100
34 C1a C 17.6872 -30.2769
35 O1a O 25.3234 -21.2000
36 C2b C 24.1500 -28.5600
37 C2b C 25.9000 -28.5600
38 C6a C 26.6000 -29.7724
39 C6a C 23.4500 -29.7724
40 O6a O 22.0502 -29.7724
41 O6a O 24.1404 -30.9679
42 O6a O 27.9998 -29.7724
43 O6a O 25.9096 -30.9679
BOND 45
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 8 13 1
14 9 3 1
15 12 14 1
16 14 15 1
17 15 16 1
18 14 17 2
19 16 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 16 22 2
25 18 23 1
26 23 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 25 31 2
35 29 32 1
36 32 33 1
37 7 34 1
38 22 35 1
39 36 37 2
40 37 38 1
41 36 39 1
42 39 40 1
43 39 41 2
44 38 42 2
45 38 43 1
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