| Entry |
|
|---|
| Name |
Vidofludimus calcium (USAN);
Vidofludimus calcium monohydrate |
|---|
| Formula |
(C20H17FNO4)2. 2H2O. Ca
|
|---|
| Exact mass |
784.2120
|
|---|
| Mol weight |
784.81
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Immunosuppressant, Dihydroorotate dehydrogenase inhibitor |
|---|
| Comment |
Treatment of progressive and relapsing forms of Multiple sclerosis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
DHODH
D13128 Vidofludimus calcium (USAN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 55
1 C8x C 12.5892 -15.9463
2 C8x C 12.5892 -17.3451
3 C8y C 13.8481 -18.0445
4 C8x C 15.0370 -17.3451
5 C8y C 15.0370 -15.9463
6 C8x C 13.8481 -15.2469
7 O2a O 13.8481 -19.4432
8 C1a C 12.5892 -20.2126
9 C8y C 16.2960 -15.2469
10 C8x C 17.4849 -15.9463
11 C8x C 18.6739 -15.2469
12 C8y C 18.6739 -13.8481
13 C8y C 17.4849 -13.1487
14 C8x C 16.2960 -13.8481
15 X F 17.4849 -11.7499
16 N1b N 19.9328 -13.1487
17 C5a C 21.1218 -13.8481
18 C2y C 22.3108 -13.1487
19 O5a O 21.1218 -15.2469
20 C2y C 23.4298 -13.9879
21 C1x C 24.5488 -13.1487
22 C1x C 24.1292 -11.8198
23 C1x C 22.7304 -11.8898
24 C6a C 23.4298 -15.3867
25 O6a O 22.1709 -16.0861
26 O6a O 24.6188 -16.0861 #-
27 Z Ca 28.7700 -16.1000 #2+
28 O0 O 30.1000 -19.1800
29 C8x C 12.5892 -15.9463
30 C8x C 12.5892 -17.3451
31 C8y C 13.8481 -18.0445
32 C8x C 15.0370 -17.3451
33 C8y C 15.0370 -15.9463
34 C8x C 13.8481 -15.2469
35 C8y C 16.2960 -15.2469
36 C8x C 17.4849 -15.9463
37 C8x C 18.6739 -15.2469
38 C8y C 18.6739 -13.8481
39 C8y C 17.4849 -13.1487
40 C8x C 16.2960 -13.8481
41 X F 17.4849 -11.7499
42 N1b N 19.9328 -13.1487
43 C5a C 21.1218 -13.8481
44 C2y C 22.3108 -13.1487
45 C2y C 23.4298 -13.9879
46 C1x C 24.5488 -13.1487
47 C1x C 24.1292 -11.8198
48 C1x C 22.7304 -11.8898
49 C6a C 23.4298 -15.3867
50 O6a O 22.1709 -16.0861
51 O6a O 24.6188 -16.0861 #-
52 O5a O 21.1218 -15.2469
53 O2a O 13.8481 -19.4432
54 C1a C 12.5892 -20.2126
55 O0 O 30.1000 -19.1800
BOND 56
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1
8 7 8 1
9 5 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 13 15 1
17 12 16 1
18 16 17 1
19 17 18 1
20 17 19 2
21 18 20 2
22 20 21 1
23 21 22 1
24 22 23 1
25 18 23 1
26 20 24 1
27 24 25 2
28 24 26 1
29 29 30 2
30 30 31 1
31 31 32 2
32 32 33 1
33 33 34 2
34 29 34 1
35 31 53 1
36 53 54 1
37 33 35 1
38 35 36 2
39 36 37 1
40 37 38 2
41 38 39 1
42 39 40 2
43 35 40 1
44 39 41 1
45 38 42 1
46 42 43 1
47 43 44 1
48 43 52 2
49 44 45 2
50 45 46 1
51 46 47 1
52 47 48 1
53 44 48 1
54 45 49 1
55 49 50 2
56 49 51 1
BRACKET 1 10.2900 -21.7700 10.2900 -10.0100
1 26.3900 -10.0100 26.3900 -21.7700
1 2
ORIGINAL 1 1 2 3 4 5 6 9 10 11 12 13 14 15 16 17 18
1 20 21 22 23 24 25 26 19 7 8
REPEAT 1 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44
1 45 46 47 48 49 50 51 52 53 54
2 28.0000 -20.3700 28.0000 -18.2000
2 30.9400 -18.2000 30.9400 -20.3700
2 2
ORIGINAL 2 28
REPEAT 2 55
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