| Entry |
|
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| Name |
Bocidelpar sulfate (USAN) |
|---|
| Formula |
(C25H27F3N2O3)2. H2SO4
|
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| Exact mass |
1018.3621
|
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| Mol weight |
1019.06
|
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| Structure |
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| Remark |
|
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| Efficacy |
Peroxisome proliferator-activated receptor (PPAR) delta agonist |
|---|
| Comment |
Treatment of Duchenne muscular dystrophy and primary mitochondrial myopathy
|
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| Target |
|
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| Pathway |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Peroxisome proliferator-activated receptor (PPAR)
NR1C3 (PPARG)
D12243 Bocidelpar sulfate (USAN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 71
1 C8x C 14.7832 -14.4329
2 C8x C 14.7832 -15.8342
3 C8x C 15.9743 -16.5348
4 C8y C 17.2354 -15.8342
5 C8y C 17.2354 -14.4329
6 C8x C 15.9743 -13.7323
7 O2a O 18.4265 -13.7323
8 C1b C 19.6175 -14.4329
9 C1b C 20.8086 -13.7323
10 C1b C 21.9997 -14.4329
11 C1c C 23.1907 -13.7323
12 C1b C 24.3818 -14.4329
13 C6a C 25.5729 -13.7323
14 O6a O 26.7639 -14.4329
15 O6a O 25.5729 -12.3310
16 C1b C 18.4265 -16.5348
17 C1a C 23.1907 -12.3310
18 N4y N 18.4265 -17.9360
19 C8y C 19.5475 -18.7768
20 C8x C 19.1271 -20.1080
21 N5x N 17.6558 -20.1080
22 C8y C 17.2354 -18.7768
23 C8y C 15.9042 -18.3564
24 C8x C 14.8533 -19.2672
25 C8x C 13.5221 -18.8469
26 C8y C 13.2418 -17.5157
27 C8x C 14.2928 -16.5348
28 C8x C 15.6240 -16.9552
29 C1d C 11.9107 -17.0953
30 X F 10.5795 -16.6749
31 X F 12.3310 -15.7641
32 X F 11.4903 -18.4265
33 C1a C 20.8787 -18.3564
34 S4a S 32.2000 -16.3100
35 O1d O 32.2000 -14.9100
36 O1d O 32.2000 -17.7100
37 O1d O 30.8000 -16.3100
38 O1d O 33.6000 -16.3100
39 C8x C 14.7832 -14.4329
40 C8x C 14.7832 -15.8342
41 C8x C 15.9743 -16.5348
42 C8y C 17.2354 -15.8342
43 C8y C 17.2354 -14.4329
44 C8x C 15.9743 -13.7323
45 O2a O 18.4265 -13.7323
46 C1b C 19.6175 -14.4329
47 C1b C 20.8086 -13.7323
48 C1b C 21.9997 -14.4329
49 C1c C 23.1907 -13.7323
50 C1b C 24.3818 -14.4329
51 C6a C 25.5729 -13.7323
52 O6a O 26.7639 -14.4329
53 O6a O 25.5729 -12.3310
54 C1a C 23.1907 -12.3310
55 C1b C 18.4265 -16.5348
56 N4y N 18.4265 -17.9360
57 C8y C 19.5475 -18.7768
58 C8x C 19.1271 -20.1080
59 N5x N 17.6558 -20.1080
60 C8y C 17.2354 -18.7768
61 C8y C 15.9042 -18.3564
62 C8x C 14.8533 -19.2672
63 C8x C 13.5221 -18.8469
64 C8y C 13.2418 -17.5157
65 C8x C 14.2928 -16.5348
66 C8x C 15.6240 -16.9552
67 C1d C 11.9107 -17.0953
68 X F 10.5795 -16.6749
69 X F 12.3310 -15.7641
70 X F 11.4903 -18.4265
71 C1a C 20.8787 -18.3564
BOND 74
1 34 35 2
2 34 36 2
3 34 37 1
4 34 38 1
5 1 2 2
6 2 3 1
7 3 4 2
8 4 5 1
9 5 6 2
10 1 6 1
11 5 7 1
12 7 8 1
13 8 9 1
14 9 10 1
15 10 11 1
16 11 12 1
17 12 13 1
18 13 14 1
19 13 15 2
20 4 16 1
21 11 17 1 #Up
22 16 18 1
23 18 19 1
24 19 20 2
25 20 21 1
26 21 22 2
27 18 22 1
28 22 23 1
29 23 24 2
30 24 25 1
31 25 26 2
32 26 27 1
33 27 28 2
34 23 28 1
35 26 29 1
36 29 30 1
37 29 31 1
38 29 32 1
39 19 33 1
40 39 40 2
41 40 41 1
42 41 42 2
43 42 43 1
44 43 44 2
45 39 44 1
46 43 45 1
47 45 46 1
48 46 47 1
49 47 48 1
50 48 49 1
51 49 50 1
52 50 51 1
53 51 52 1
54 51 53 2
55 42 55 1
56 49 54 1 #Up
57 55 56 1
58 56 57 1
59 57 58 2
60 58 59 1
61 59 60 2
62 56 60 1
63 60 61 1
64 61 62 2
65 62 63 1
66 63 64 2
67 64 65 1
68 65 66 2
69 61 66 1
70 64 67 1
71 67 68 1
72 67 69 1
73 67 70 1
74 57 71 1
BRACKET 1 8.6800 -21.5600 8.6800 -10.2200
1 28.1400 -10.2200 28.1400 -21.5600
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 17
1 16 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32
1 33
REPEAT 1 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54
1 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70
1 71
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