Entry |
|
Name |
Elsamitrucin (USAN/INN) |
Formula |
C33H35NO13
|
Exact mass |
653.2108
|
Mol weight |
653.63
|
Structure |

|
Simcomp |
|
Class |
Antineoplastic
DG01529 Topoisomerase inhibitor
|
Efficacy |
Antineoplastic |
Target |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
D03977 Elsamitrucin
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D03977 Elsamitrucin (USAN/INN)
TOP2
D03977 Elsamitrucin (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 47
1 C1y C 20.6500 -38.3600
2 C1y C 17.0100 -40.4600
3 C1y C 17.0100 -41.8600
4 C1y C 18.2700 -42.5600
5 C1y C 19.4600 -41.8600
6 C1y C 19.4600 -40.4600
7 O2x O 18.2700 -39.7600
8 O2a O 20.6500 -39.7600
9 C1y C 21.9100 -37.6600
10 O2x O 21.9100 -36.2600
11 C1y C 20.6500 -35.5600
12 C1y C 19.4600 -36.2600
13 C1z C 19.4600 -37.6600
14 O2a O 23.1000 -38.3600
15 C1a C 15.8200 -39.7600
16 O1a O 15.8200 -42.5600
17 O2a O 18.2700 -43.9600
18 N1a N 20.7200 -42.6300
19 C1a C 17.0100 -44.7300
20 C1a C 20.6500 -34.1600
21 O1a O 18.2700 -35.5600
22 C1a C 18.2700 -38.3600
23 O1a O 18.2700 -36.9600
24 C8y C 23.1000 -39.7600
25 C8x C 21.9100 -41.8600
26 C8x C 23.1000 -42.5600
27 C8y C 24.2900 -41.8600
28 C8y C 24.2900 -40.4600
29 C8x C 21.9100 -40.4600
30 C8y C 25.5500 -42.5600
31 C8y C 26.7400 -41.8600
32 C8y C 26.7400 -40.4600
33 C8y C 25.5500 -39.7600
34 C8y C 27.9300 -42.5600
35 O7x O 29.1900 -41.8600
36 C8y C 29.1900 -40.4600
37 C8y C 27.9300 -39.7600
38 C8y C 27.9300 -38.3600
39 C8y C 26.7400 -37.6600
40 O7x O 25.5500 -38.3600
41 C8x C 30.3800 -39.7600
42 C8x C 30.3800 -38.3600
43 C8y C 29.1900 -37.6600
44 O1a O 25.5500 -43.9600
45 O6a O 27.9300 -43.9600
46 O6a O 26.7400 -36.2600
47 C1a C 29.1900 -36.2600
BOND 53
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 2 7 1
7 6 8 1 #Down
8 1 8 1 #Down
9 1 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 1 13 1
15 9 14 1 #Up
16 2 15 1 #Up
17 3 16 1 #Up
18 4 17 1 #Up
19 5 18 1 #Down
20 17 19 1
21 11 20 1 #Up
22 12 21 1 #Up
23 13 22 1 #Down
24 13 23 1 #Up
25 14 24 1
26 25 26 1
27 26 27 2
28 27 28 1
29 28 24 2
30 25 29 2
31 27 30 1
32 30 31 2
33 31 32 1
34 32 33 2
35 28 33 1
36 31 34 1
37 34 35 1
38 35 36 1
39 36 37 2
40 32 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 33 40 1
45 36 41 1
46 41 42 2
47 42 43 1
48 43 38 2
49 30 44 1
50 34 45 2
51 39 46 2
52 43 47 1
53 29 24 1
|