| Entry |
|
|---|
| Name |
Opadotin (USAN) |
|---|
| Formula |
C47H82N6O12
|
|---|
| Exact mass |
922.5991
|
|---|
| Mol weight |
923.187
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D12582 Opadotin (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 65
1 N1a N 4.1300 -12.1800
2 O2a O 5.3200 -11.4800
3 C1b C 6.5100 -12.1800
4 C1b C 7.7000 -11.4800
5 O2a O 8.8900 -12.1800
6 C1b C 10.0800 -11.4800
7 C1b C 11.2700 -12.1800
8 O2a O 12.4600 -11.4800
9 C1b C 13.6500 -12.1800
10 C1b C 14.8400 -11.4800
11 O2a O 16.0300 -12.1800
12 C1b C 17.2200 -11.4800
13 C1b C 18.4100 -12.1800
14 N1c N 19.6000 -11.4800
15 C1c C 20.7900 -12.1800
16 C1a C 19.6000 -10.0800
17 C5a C 21.9800 -11.4800
18 N1b N 23.1700 -12.1800
19 O5a O 21.9800 -10.0800
20 C1c C 20.7900 -13.5800
21 C1a C 19.6000 -14.2800
22 C1a C 21.9800 -14.2800
23 C1c C 24.3600 -11.4800
24 C5a C 25.5500 -12.1800
25 C1c C 24.3600 -10.0800
26 C1a C 25.5500 -9.3800
27 C1a C 23.1700 -9.3800
28 N1c N 26.7400 -11.4800
29 O5a O 25.5500 -13.5800
30 C1c C 27.9300 -12.1800
31 C1a C 26.7400 -10.0800
32 C1c C 29.1200 -11.4800
33 C1c C 27.9300 -13.5800
34 C1a C 29.1200 -14.2800
35 C1b C 26.7400 -14.2800
36 C1b C 30.3100 -12.1800
37 O2a O 29.1200 -10.0800
38 C1a C 30.3100 -9.3800
39 C5a C 31.5000 -11.4800
40 N1y N 32.6900 -12.1800
41 O5a O 31.5000 -10.0800
42 C1x C 33.1100 -13.5100
43 C1x C 34.5800 -13.5100
44 C1x C 35.0000 -12.1800
45 C1y C 33.8800 -11.3400
46 C1c C 33.8800 -9.9400
47 C1c C 35.0700 -9.2400
48 O2a O 32.6900 -9.2400
49 C5a C 36.2600 -9.9400
50 C1a C 35.0700 -7.8400
51 N1b N 37.4500 -9.2400
52 C1c C 38.6400 -9.9400
53 O5a O 36.2600 -11.3400
54 C1b C 39.8300 -9.2400
55 C6a C 38.6400 -11.3400
56 C8y C 41.0900 -9.9400
57 C1a C 32.6900 -7.8400
58 C1a C 26.7400 -15.6800
59 O6a O 37.4276 -12.0400
60 O6a O 39.8524 -12.0400
61 C8x C 41.1131 -11.3398
62 C8x C 42.3369 -12.0197
63 C8x C 43.5376 -11.2998
64 C8x C 43.5145 -9.9000
65 C8x C 42.2907 -9.2201
BOND 66
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 14 16 1
16 15 17 1
17 17 18 1
18 17 19 2
19 15 20 1 #Down
20 20 21 1
21 20 22 1
22 18 23 1
23 23 24 1
24 23 25 1 #Up
25 25 26 1
26 25 27 1
27 24 28 1
28 24 29 2
29 30 28 1 #Down
30 28 31 1
31 30 32 1
32 30 33 1
33 33 34 1 #Up
34 33 35 1
35 32 36 1
36 32 37 1 #Down
37 37 38 1
38 36 39 1
39 39 40 1
40 39 41 2
41 40 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 40 45 1
46 45 46 1
47 46 47 1
48 46 48 1 #Down
49 47 49 1
50 47 50 1 #Up
51 49 51 1
52 51 52 1
53 49 53 2
54 52 54 1 #Up
55 52 55 1
56 54 56 1
57 48 57 1
58 35 58 1
59 55 59 2
60 55 60 1
61 56 61 2
62 61 62 1
63 62 63 2
64 63 64 1
65 64 65 2
66 56 65 1
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