Entry |
|
Name |
Vinrosidine sulfate (USAN) |
Formula |
C46H58N4O9. xH2SO4
|
Structure |
|
Simcomp |
|
Class |
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
|
Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
Comment |
Vinca alkaloid
|
Target |
|
Pathway |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
D06308 Vinrosidine sulfate
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D06308 Vinrosidine sulfate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 64
1 C1z C 30.6481 -20.5142
2 C1y C 31.7394 -19.8322
3 C1y C 30.6481 -21.7419
4 C1x C 29.8297 -19.4230
5 C1z C 32.8306 -20.5142
6 N1y N 31.7394 -18.5363
7 C1z C 31.7394 -22.4239
8 N1y N 29.5569 -22.4239
9 C8y C 28.4657 -21.7419
10 C1x C 30.4435 -18.5363
11 C1y C 32.8306 -21.7419
12 C2x C 33.9901 -19.8322
13 C1b C 33.9219 -21.1280
14 C1x C 32.8306 -17.9225
15 C7a C 32.6260 -23.5151
16 O1a O 31.2620 -24.2653
17 C1a C 29.5569 -23.7197
18 O7a O 36.1043 -23.0377
19 C2x C 33.9901 -18.5363
20 C1a C 35.0131 -20.5142
21 O7a O 32.6260 -24.8110
22 O6a O 33.9219 -23.0377
23 C1a C 33.7855 -25.4930
24 C1a C 38.4914 -23.0377
25 C7a C 37.2638 -22.3557
26 O6a O 37.2638 -20.9916
27 C8y C 28.4657 -20.5142
28 C8x C 27.3744 -19.9004
29 C8x C 27.3744 -22.4239
30 C8y C 26.2832 -20.5142
31 C8y C 26.2832 -21.8101
32 C1z C 23.2823 -18.3999
33 O2a O 25.1920 -22.4239
34 C8y C 22.1910 -17.6497
35 C1x C 24.5099 -17.6497
36 C7a C 22.9413 -19.6276
37 C1a C 24.1007 -21.8101
38 C8y C 22.1910 -16.2857
39 N4x N 21.0998 -18.2635
40 C1y C 24.5099 -16.4221
41 O7a O 21.5090 -20.1050
42 O6a O 23.7597 -20.6506
43 C8y C 19.9404 -16.2857
44 C1x C 21.4408 -15.1944
45 C8y C 19.9404 -17.6497
46 C1x C 23.4187 -15.8083
47 C1a C 20.6906 -21.4691
48 C8x C 18.7809 -15.6718
49 C1x C 22.1910 -14.2396
50 C8x C 18.7809 -18.2635
51 N1y N 23.4187 -14.5806
52 C8x C 17.7579 -16.2857
53 C8x C 17.7579 -17.6497
54 C1x C 24.5099 -13.8304
55 C1z C 25.6012 -14.4442
56 C1x C 25.6012 -15.6036
57 O1a O 26.8288 -13.7622
58 C1b C 26.7824 -15.1262
59 C1a C 26.7825 -16.4901
60 S4a S 38.1231 -16.0518
61 O1d O 38.1231 -14.6878
62 O1d O 38.1231 -17.4159
63 O1d O 36.7590 -16.0518
64 O1d O 39.4871 -16.0518
BOND 71
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 10 1
9 5 11 1
10 5 12 1
11 5 13 1 #Down
12 6 14 1
13 7 15 1 #Down
14 7 16 1 #Up
15 8 17 1
16 11 18 1 #Up
17 12 19 2
18 13 20 1
19 15 21 1
20 6 10 1
21 7 11 1
22 8 9 1
23 14 19 1
24 15 22 2
25 21 23 1
26 24 25 1
27 18 25 1
28 25 26 2
29 27 28 1
30 9 29 1
31 28 30 2
32 29 31 2
33 32 30 1
34 31 33 1
35 32 34 1
36 32 35 1
37 32 36 1 #Up
38 33 37 1
39 34 38 2
40 34 39 1
41 35 40 1
42 36 41 1
43 36 42 2
44 38 43 1
45 38 44 1
46 39 45 1
47 40 46 1 #Down
48 40 56 1
49 41 47 1
50 43 48 1
51 44 49 1
52 45 50 1
53 51 46 1 #Down
54 48 52 2
55 50 53 2
56 51 54 1
57 30 31 1
58 43 45 2
59 49 51 1
60 55 54 1
61 52 53 1
62 55 56 1
63 55 57 1 #Down
64 27 1 1
65 27 9 2
66 55 58 1 #Up
67 58 59 1
68 60 61 2
69 60 62 2
70 60 63 1
71 60 64 1
BRACKET 1 35.3500 -18.3400 35.3500 -14.0000
1 40.8100 -14.0000 40.8100 -18.3400
1 x
ORIGINAL 1 62 63 64 65 66
REPEAT 1
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