| Entry |
|
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| Name |
Enzastaurin (USAN/INN) |
|---|
| Formula |
C32H29N5O2
|
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| Exact mass |
515.2321
|
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| Mol weight |
515.60
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Antineoplastic, Protein kinase C inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
AGC group
PRKCB
D11935 Enzastaurin (USAN/INN)
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 39
1 C2y C 13.7714 -15.4491
2 C2y C 13.7714 -16.8473
3 C5x C 12.4432 -17.2667
4 N1x N 11.6043 -16.1482
5 C5x C 12.4432 -15.0297
6 O5x O 12.0238 -13.7015
7 O5x O 12.0238 -18.5949
8 C8y C 15.0297 -17.5463
9 C8y C 15.0297 -14.7501
10 C8y C 15.0297 -13.3520
11 C8y C 15.0297 -18.9444
12 C8x C 16.3579 -15.1695
13 N4y N 17.1968 -14.0510
14 C8y C 16.3579 -12.9325
15 C8y C 16.3579 -19.3639
16 N4y N 17.1968 -18.2454
17 C8x C 16.3579 -17.1269
18 C1y C 18.5250 -14.0510
19 C1a C 18.5250 -18.2454
20 C8x C 16.6375 -11.5344
21 C8x C 15.5890 -10.6257
22 C8x C 14.2608 -11.0451
23 C8x C 13.9811 -12.4432
24 C8x C 13.9811 -19.9231
25 C8x C 14.2608 -21.2513
26 C8x C 15.5890 -21.6708
27 C8x C 16.6375 -20.7620
28 C1x C 19.2241 -15.3093
29 C1x C 20.6921 -15.3093
30 N1y N 21.3911 -14.0510
31 C1x C 20.6921 -12.8626
32 C1x C 19.2241 -12.8626
33 C1b C 22.7892 -14.0510
34 C8y C 23.4883 -15.3093
35 N5x N 22.7892 -16.4977
36 C8x C 23.4883 -17.6861
37 C8x C 24.8864 -17.6861
38 C8x C 25.5855 -16.4977
39 C8x C 24.8864 -15.3093
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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