Entry |
|
Name |
Becatecarin (USAN/INN) |
Formula |
C33H34Cl2N4O7
|
Exact mass |
668.1805
|
Mol weight |
669.55
|
Structure |
![](/Fig/drug/D03220.gif)
|
Simcomp |
|
Efficacy |
Antineoplastic, Topoisomerase II inhibitor |
Comment |
Rebeccamycin [CPD: C19701] derivative
|
Target |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D03220 Becatecarin (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 46
1 C1y C 19.7608 -20.2892
2 C1y C 20.4639 -21.4845
3 O2x O 18.4952 -20.2892
4 C1y C 19.7608 -22.6095
5 C1y C 17.7921 -21.4845
6 C1y C 18.4952 -22.6095
7 O1a O 20.4639 -23.7345
8 C1b C 16.3858 -21.4845
9 O2a O 17.7218 -23.8048
10 O1a O 21.8702 -21.4845
11 O1a O 15.6827 -22.6798
12 N4y N 20.4639 -18.9532
13 C8y C 18.1436 -17.8985
14 C8y C 19.5499 -17.8985
15 C8y C 20.2530 -16.7032
16 C8y C 19.5499 -15.4376
17 C8y C 18.1436 -15.4376
18 C8y C 17.4405 -16.7032
19 C8y C 15.8937 -16.9845
20 C8y C 15.8937 -18.3907
21 N4x N 17.2296 -18.9532
22 C8y C 21.7999 -18.3907
23 C8y C 21.7999 -16.9845
24 C5x C 19.9718 -14.1017
25 N1y N 18.8468 -13.3283
26 C5x C 17.7218 -14.1017
27 C8x C 14.6984 -16.2814
28 C8x C 13.5030 -16.9845
29 C8x C 13.5030 -18.3907
30 C8y C 14.6984 -19.0939
31 C8y C 22.9952 -19.0939
32 C8x C 24.1905 -18.3907
33 C8x C 24.1905 -16.9845
34 C8x C 22.9952 -16.2814
35 X Cl 14.6984 -20.5001
36 X Cl 22.9952 -20.5001
37 C1b C 18.8468 -11.9220
38 C1b C 20.0421 -11.2189
39 N1c N 20.0421 -9.8127
40 C1b C 21.2374 -9.1095
41 C1b C 18.8468 -9.1095
42 C1a C 18.8468 -7.7033
43 C1a C 21.2374 -7.7033
44 O5x O 16.3858 -13.6798
45 O5x O 21.3077 -13.6798
46 C1a C 16.3119 -23.7967
BOND 52
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 8 1 #Up
7 6 9 1 #Down
8 5 6 1
9 2 10 1 #Down
10 4 7 1 #Up
11 8 11 1
12 13 14 1
13 14 15 2
14 15 16 1
15 16 17 2
16 17 18 1
17 13 18 2
18 18 19 1
19 19 20 1
20 20 21 1
21 13 21 1
22 14 12 1
23 12 22 1
24 22 23 1
25 15 23 1
26 16 24 1
27 24 25 1
28 25 26 1
29 17 26 1
30 19 27 2
31 27 28 1
32 28 29 2
33 29 30 1
34 20 30 2
35 22 31 2
36 31 32 1
37 32 33 2
38 33 34 1
39 23 34 2
40 30 35 1
41 31 36 1
42 25 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 39 41 1
47 41 42 1
48 40 43 1
49 26 44 2
50 24 45 2
51 1 12 1 #Up
52 9 46 1
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