| Entry |
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| Name |
Dabrafenib mesylate (USAN)
|
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| Formula |
C23H20F3N5O2S2. CH4SO3
|
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| Exact mass |
615.0892
|
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| Mol weight |
615.6681
|
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| Structure |
     |
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| Activity |
Antineoplastic
|
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| Target |
|
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| Pathway |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine protein kinases: TKL group
RAF family
BRAF [HSA:673] [KO:K04365]
Dabrafenib
D10104 Dabrafenib mesylate (USAN)
 |
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| Other DBs |
CAS: 1195768-06-9 PubChem: LigandBox: |
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| KCF data |
ATOM 40
1 C8y C 29.4000 -20.0900
2 C8y C 29.4000 -21.4900
3 C8x C 30.5900 -22.1900
4 C8x C 31.8500 -21.4900
5 C8x C 31.8500 -20.0900
6 C8y C 30.5900 -19.3900
7 X F 30.5900 -17.9900
8 X F 28.2100 -22.1900
9 S4a S 28.2100 -19.3900
10 N1b N 26.9500 -20.0900
11 C8y C 25.7600 -19.3900
12 C8x C 25.7600 -17.9900
13 C8x C 24.5700 -17.2900
14 C8x C 23.3800 -17.9900
15 C8y C 23.3800 -19.3900
16 C8y C 24.5700 -20.0900
17 X F 24.5700 -21.4900
18 C8y C 22.1200 -20.0900
19 N5x N 21.0000 -19.3200
20 C8y C 19.8800 -20.0900
21 S2x S 20.3700 -21.4200
22 C8y C 21.7000 -21.4200
23 C8y C 22.6100 -22.5400
24 C8x C 21.8400 -23.7300
25 C8x C 22.5400 -24.9900
26 N5x N 23.9400 -24.9900
27 C8y C 24.6400 -23.8000
28 N5x N 24.0100 -22.5400
29 C1d C 18.5500 -19.7400
30 C1a C 17.5700 -20.6500
31 C1a C 18.2700 -18.3400
32 C1a C 17.2200 -19.3200
33 N1a N 26.1100 -23.8700
34 O1d O 27.1600 -18.4100
35 O1d O 29.1900 -18.4100
36 S4a S 35.7000 -20.6500
37 O1d O 35.7000 -19.2500
38 O1d O 35.7000 -22.0500
39 O1d O 37.1000 -20.6500
40 C1a C 34.3000 -20.6500
BOND 42
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 6 7 1
8 2 8 1
9 1 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 16 17 1
19 15 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 18 22 2
25 22 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 23 28 2
32 20 29 1
33 29 30 1
34 29 31 1
35 29 32 1
36 27 33 1
37 9 34 2
38 9 35 2
39 36 37 2
40 36 38 2
41 36 39 1
42 36 40 1
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