Entry |
|
Name |
Volasertib (USAN) |
Formula |
C34H50N8O3
|
Exact mass |
618.4006
|
Mol weight |
618.81
|
Structure |

|
Simcomp |
|
Remark |
|
Efficacy |
Antineoplastic, Polo-like kinase inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
PLK1
D10182 Volasertib (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 45
1 C8y C 15.0707 -21.0947
2 C8y C 15.0707 -22.4965
3 C8x C 16.2622 -23.1974
4 N5x N 17.5238 -22.4965
5 C8y C 17.5238 -21.0947
6 N5x N 16.2622 -20.3938
7 N1b N 18.7154 -20.3938
8 N1y N 13.8791 -20.3938
9 C1y C 12.6175 -21.0947
10 C5x C 12.6175 -22.4965
11 N1y N 13.8791 -23.1974
12 C1c C 13.8791 -18.9920
13 C1a C 15.0707 -18.2911
14 C1a C 12.6876 -18.2911
15 C1b C 11.4260 -20.3938
16 C1a C 10.2344 -21.0947
17 O5x O 11.4260 -23.1974
18 C1a C 13.8791 -24.5992
19 C8y C 19.9069 -21.0947
20 C8x C 19.9069 -22.4965
21 C8x C 21.1685 -23.1974
22 C8y C 22.3600 -22.4965
23 C8x C 22.3600 -21.0947
24 C8y C 21.1685 -20.3938
25 O2a O 21.1685 -18.9920
26 C1a C 19.9770 -18.2911
27 C5a C 23.5516 -23.1974
28 N1b N 24.7431 -22.4965
29 O5a O 23.5516 -24.5992
30 C1y C 25.9346 -23.1974
31 C1x C 25.9346 -24.5992
32 C1x C 27.1963 -25.3001
33 C1y C 28.3878 -24.5992
34 C1x C 28.3878 -23.1974
35 C1x C 27.1963 -22.4965
36 N1y N 29.5793 -25.3001
37 C1x C 29.5793 -26.7019
38 C1x C 30.8410 -27.4028
39 N1y N 32.0325 -26.7019
40 C1x C 32.0325 -25.3001
41 C1x C 30.8410 -24.5992
42 C1b C 33.2240 -27.4028
43 C1y C 34.4156 -26.7019
44 C1x C 35.8174 -26.7019
45 C1x C 35.1165 -25.5104
BOND 50
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 5 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 2 11 1
13 8 12 1
14 12 13 1
15 12 14 1
16 9 15 1 #Up
17 15 16 1
18 10 17 2
19 11 18 1
20 7 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 24 25 1
28 25 26 1
29 22 27 1
30 27 28 1
31 27 29 2
32 30 28 1 #Up
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 30 35 1
39 33 36 1 #Down
40 36 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 36 41 1
46 39 42 1
47 42 43 1
48 43 44 1
49 44 45 1
50 45 43 1
|