Entry |
|
Name |
Idraparinux sodium (USAN) |
Formula |
C38H55O49S7. 9Na
|
Exact mass |
1725.8936
|
Mol weight |
1727.19
|
Structure |

|
Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
|
Efficacy |
Antithrombotic, Factor Xa inhibitor |
Target |
|
Pathway |
hsa04610 | Complement and coagulation cascades |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01662 Factor Xa inhibitor
D10471 Idraparinux sodium
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Chymotrypsin family
F10a
D10471 Idraparinux sodium (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 103
1 C1y C 11.5056 -17.4456
2 C1y C 11.5056 -18.8605
3 C1y C 12.7310 -19.5680
4 C1y C 13.9564 -18.8605
5 C1y C 13.9564 -17.4456
6 O2x O 12.7310 -16.7381
7 O2a O 10.2804 -16.7381
8 O2a O 10.2804 -19.5680
9 C1b C 15.2006 -16.7270
10 O2a O 15.2003 -15.3233
11 S4a S 13.9628 -14.6092
12 O1d O 12.7491 -15.3103
13 O1d O 15.1653 -13.9083
14 O1d O 12.7544 -13.9117 #-
15 O2a O 15.2006 -19.5791
16 C1y C 16.4186 -18.8759
17 O2a O 12.7310 -20.9826
18 S4a S 12.7310 -22.3975
19 O1d O 12.7366 -23.8736 #-
20 O1d O 11.4887 -22.3373
21 O1d O 13.9392 -22.3372
22 S4a S 8.8599 -19.5776
23 O1d O 8.8547 -18.2210
24 O1d O 8.8095 -21.0713
25 O1d O 7.4733 -19.5870 #-
26 C1a C 10.2803 -15.3234
27 O2x O 17.6135 -19.5660
28 C1y C 18.8390 -18.8588
29 C1y C 18.8392 -17.4439
30 C1y C 17.6442 -16.7537
31 C1y C 16.4187 -17.4610
32 O2a O 16.4326 -16.0313
33 O2a O 17.6442 -15.3233
34 C1a C 18.9047 -14.6494
35 O2a O 20.0817 -16.7264
36 C1y C 21.3002 -17.4299
37 C6a C 18.8804 -20.4971
38 O6a O 18.8800 -21.9024 #-
39 C1y C 21.3005 -18.8601
40 C1y C 22.5259 -19.5674
41 C1y C 23.7512 -18.8597
42 C1y C 23.7509 -17.4295
43 O2x O 22.5253 -16.7223
44 O6a O 17.7349 -21.1764
45 C1b C 24.9646 -16.7286
46 O2a O 24.9643 -15.3233
47 S4a S 23.7262 -14.6087
48 O1d O 22.5118 -15.3100
49 O1d O 24.8581 -13.7668
50 O1d O 22.5178 -13.9111 #-
51 O2a O 21.3068 -20.2748
52 S4a S 21.3132 -21.6901
53 O1d O 21.2884 -23.1110 #-
54 O1d O 20.2520 -21.6843
55 O1d O 22.5547 -21.6732
56 O2a O 23.5873 -20.6290
57 S4a S 24.4955 -21.7796
58 O1d O 25.5006 -22.4205 #-
59 O1d O 23.9824 -23.0686
60 O1d O 25.0288 -20.4397
61 O2a O 24.9721 -19.5643
62 C1y C 26.1771 -18.8681
63 C1y C 27.3790 -19.5617
64 C1y C 28.6042 -18.8540
65 C1y C 28.6039 -17.4391
66 C1y C 27.4020 -16.7455
67 O2x O 26.1768 -17.4533
68 C6a C 27.4016 -15.3234
69 O6a O 26.1925 -14.6255 #-
70 O6a O 28.6432 -14.6060
71 O2a O 29.8428 -16.7233
72 C1y C 31.0641 -17.4279
73 C1y C 31.0649 -18.8601
74 C1y C 32.2908 -19.5668
75 C1y C 33.5157 -18.8587
76 C1y C 33.5149 -17.4265
77 O2x O 32.2892 -16.7198
78 O2a O 29.4952 -19.8554
79 O2a O 27.3794 -20.6996
80 C1b C 34.7261 -16.7265
81 O2a O 35.9448 -17.4294
82 S4a S 37.1390 -16.7393
83 O1d O 38.3465 -17.4360
84 O1d O 38.0581 -15.7478 #-
85 O1d O 35.8955 -16.0217
86 O2a O 34.7362 -19.5625
87 C1a C 35.9392 -18.8667
88 O2a O 32.2915 -20.9827
89 C1a C 33.5273 -21.6955
90 O2a O 31.0024 -20.1451
91 C1a C 31.0401 -21.5488
92 C1a C 16.4326 -14.6284
93 C1a C 29.4952 -21.2583
94 C1a C 28.4971 -21.6656
95 Z Na 11.0812 -13.1348 #+
96 Z Na 5.6338 -19.4972 #+
97 Z Na 10.7431 -23.8211 #+
98 Z Na 18.3680 -22.9637 #+
99 Z Na 22.2591 -12.7056 #+
100 Z Na 21.1271 -24.0957 #+
101 Z Na 25.3119 -23.8025 #+
102 Z Na 26.4330 -13.4130 #+
103 Z Na 37.9646 -14.5450 #+
BOND 98
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 1 7 1 #Up
8 2 8 1 #Up
9 5 9 1 #Down
10 9 10 1
11 10 11 1
12 11 12 2
13 11 13 2
14 11 14 1
15 4 15 1 #Up
16 16 15 1 #Up
17 3 17 1 #Down
18 17 18 1
19 18 19 1
20 18 20 2
21 18 21 2
22 8 22 1
23 22 23 2
24 22 24 2
25 22 25 1
26 7 26 1
27 16 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 16 31 1
33 31 32 1 #Down
34 30 33 1 #Up
35 33 34 1
36 29 35 1 #Down
37 36 35 1 #Up
38 28 37 1 #Down
39 37 38 1
40 36 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 42 43 1
45 36 43 1
46 37 44 2
47 42 45 1 #Down
48 45 46 1
49 46 47 1
50 47 48 2
51 47 49 2
52 47 50 1
53 39 51 1 #Up
54 51 52 1
55 52 53 1
56 52 54 2
57 52 55 2
58 40 56 1 #Down
59 56 57 1
60 57 58 1
61 57 59 2
62 57 60 2
63 41 61 1 #Up
64 62 61 1 #Down
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 62 67 1
71 66 68 1 #Down
72 68 69 1
73 68 70 2
74 65 71 1 #Up
75 72 71 1 #Up
76 72 73 1
77 73 74 1
78 74 75 1
79 75 76 1
80 76 77 1
81 72 77 1
82 64 78 1 #Down
83 63 79 1 #Up
84 76 80 1 #Down
85 80 81 1
86 81 82 1
87 82 83 2
88 82 84 1
89 82 85 2
90 75 86 1 #Up
91 86 87 1
92 74 88 1 #Down
93 88 89 1
94 73 90 1 #Up
95 90 91 1
96 32 92 1
97 78 93 1
98 79 94 1
|