| Entry |
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| Name |
Enzastaurin hydrochloride (JAN/USAN) |
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| Formula |
C32H29N5O2. HCl
|
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| Exact mass |
551.2088
|
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| Mol weight |
552.06
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Antineoplastic, Protein kinase C inhibitor |
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| Target |
|
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| Pathway |
|
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| Structure map |
| map07045 | Antineoplastics - protein kinase inhibitors |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
AGC group
PRKCB
D04014 Enzastaurin hydrochloride (JAN/USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 40
1 C2y C 27.5800 -15.3300
2 C2y C 27.5800 -16.7300
3 C5x C 26.2500 -17.1500
4 N1x N 25.4100 -16.0300
5 C5x C 26.2500 -14.9100
6 O5x O 25.8220 -13.5770
7 O5x O 25.8220 -18.4830
8 C8y C 28.7924 -17.4300
9 C8y C 28.7924 -14.6300
10 C8y C 28.7924 -13.2302
11 C8y C 28.7924 -18.8298
12 C8x C 30.1237 -15.0625
13 N4y N 30.9465 -13.9300
14 C8y C 30.1237 -12.7976
15 C8y C 30.1237 -19.2624
16 N4y N 30.9465 -18.1300
17 C8x C 30.1237 -16.9975
18 C1y C 32.3400 -13.9300
19 C1a C 32.3400 -18.1300
20 C8x C 30.4147 -11.4282
21 C8x C 29.3743 -10.4914
22 C8x C 28.0430 -10.9240
23 C8x C 27.7520 -12.2934
24 C8x C 27.7520 -19.7666
25 C8x C 28.0430 -21.1360
26 C8x C 29.3743 -21.5686
27 C8x C 30.4147 -20.6318
28 C1x C 33.0400 -15.1424
29 C1x C 34.4400 -15.1424
30 N1y N 35.1400 -13.9299
31 C1x C 34.4400 -12.7175
32 C1x C 33.0400 -12.7176
33 C1b C 36.5400 -13.9299
34 C8y C 37.2401 -15.1424
35 N5x N 36.5497 -16.3380
36 C8x C 37.2495 -17.5505
37 C8x C 38.6495 -17.5506
38 C8x C 39.3399 -16.3550
39 C8x C 38.6401 -15.1425
40 X Cl 36.6800 -19.9500
BOND 45
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 2
7 3 7 2
8 2 8 1
9 1 9 1
10 9 10 1
11 8 11 1
12 9 12 2
13 12 13 1
14 13 14 1
15 10 14 1
16 11 15 1
17 15 16 1
18 16 17 1
19 8 17 2
20 13 18 1
21 16 19 1
22 14 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 10 23 2
27 11 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 15 27 2
32 18 28 1
33 28 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 18 32 1
38 30 33 1
39 33 34 1
40 34 35 2
41 35 36 1
42 36 37 2
43 37 38 1
44 38 39 2
45 34 39 1
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