Entry |
|
Name |
Soblidotin (JAN/INN) |
Formula |
C39H67N5O6
|
Exact mass |
701.5091
|
Mol weight |
701.9792
|
Structure |
|
Simcomp |
|
Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D01919 Soblidotin (JAN/INN)
|
Other DBs |
|
KCF data |
ATOM 50
1 C1b C 36.2156 -18.1809
2 C1b C 36.1757 -19.5788
3 C8y C 37.3959 -20.2652
4 C8x C 38.5969 -19.5576
5 C8x C 39.8173 -20.2439
6 C8x C 39.8294 -21.6448
7 C8x C 38.6215 -22.3593
8 C8x C 37.4081 -21.6659
9 C5a C 33.7898 -18.1997
10 O5a O 33.7929 -19.6004
11 N1b N 34.9957 -17.4872
12 C1c C 23.9276 -17.4407
13 C1c C 25.1385 -18.1375
14 O2a O 25.1316 -19.5383
15 C1a C 26.3425 -20.4524
16 C1b C 26.3493 -17.4337
17 C5a C 27.5531 -18.1306
18 O5a O 27.5462 -19.5314
19 N1y N 28.7623 -17.5154
20 C1y C 30.1747 -17.4950
21 C1x C 30.5883 -16.0618
22 C1x C 29.4387 -15.2552
23 C1x C 28.3181 -16.1016
24 C1c C 31.3676 -18.1301
25 O2a O 31.3286 -19.5302
26 C1c C 32.5952 -17.4632
27 C1a C 30.0957 -20.4104
28 C1a C 32.6305 -16.0628
29 C1a C 19.0797 -20.5461
30 C1c C 20.2974 -19.8486
31 C1c C 20.3055 -18.1703
32 C5a C 21.5169 -17.4553
33 O5a O 21.5099 -16.0534
34 N1c N 22.7287 -18.1527
35 N1b N 19.0868 -17.4625
36 C5a C 17.8750 -18.1527
37 C1a C 22.7218 -19.5615
38 C1a C 21.5021 -20.5515
39 C1c C 16.6712 -17.4483
40 O5a O 17.8669 -19.5475
41 C1c C 16.6791 -16.0536
42 N1c N 15.4591 -18.1387
43 C1a C 14.2553 -17.4345
44 C1a C 15.4511 -19.5336
45 C1a C 17.8911 -15.3630
46 C1a C 15.4753 -15.3492
47 C1c C 23.9146 -16.0352
48 C1a C 22.6976 -15.3315
49 C1b C 25.1248 -15.3246
50 C1a C 25.1644 -13.9245
BOND 51
1 20 21 1
2 21 22 1
3 22 23 1
4 23 19 1
5 20 24 1
6 24 25 1 #Up
7 24 26 1
8 26 9 1
9 12 13 1
10 13 14 1 #Up
11 14 15 1
12 13 16 1
13 16 17 1
14 7 8 2
15 25 27 1
16 8 3 1
17 26 28 1 #Up
18 11 1 1
19 1 2 1
20 2 3 1
21 9 10 2
22 9 11 1
23 3 4 2
24 4 5 1
25 5 6 2
26 6 7 1
27 17 18 2
28 17 19 1
29 19 20 1
30 32 34 1
31 31 35 1
32 35 36 1
33 31 30 1 #Down
34 31 32 1
35 34 37 1
36 30 38 1
37 36 39 1
38 36 40 2
39 39 41 1 #Up
40 39 42 1
41 42 43 1
42 32 33 2
43 42 44 1
44 30 29 1
45 41 45 1
46 41 46 1
47 12 34 1
48 49 50 1
49 47 48 1 #Up
50 47 49 1
51 12 47 1
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