| Entry |
|
|---|
| Name |
Pamirtecan (USAN) |
|---|
| Formula |
C55H60FN9O13
|
|---|
| Exact mass |
1073.4295
|
|---|
| Mol weight |
1074.11
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase I inhibitor |
|---|
| Target |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
D12977 Pamirtecan
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D12977 Pamirtecan (USAN)
|
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| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 78
1 C1x C 13.6500 -37.8000
2 C8y C 13.6500 -39.2000
3 C8y C 14.8624 -39.9000
4 C8y C 16.0749 -39.2000
5 C1y C 16.0749 -37.8000
6 C1x C 14.8624 -37.1000
7 C8y C 12.4376 -39.9000
8 C8y C 12.4376 -41.3000
9 C8x C 13.6500 -42.0000
10 C8y C 14.8624 -41.3000
11 N5x N 16.0749 -42.0000
12 C8y C 17.2873 -41.3000
13 C8y C 17.2873 -39.9000
14 C1a C 11.2421 -39.2096
15 X F 11.2421 -41.9904
16 C8y C 18.6188 -41.7326
17 N4y N 19.4417 -40.6000
18 C1x C 18.6188 -39.4674
19 C8x C 19.1882 -43.0116
20 C8y C 20.5806 -43.1579
21 C8y C 21.4035 -42.0253
22 C8y C 20.8340 -40.7463
23 O5x O 21.6687 -39.5972
24 C1z C 21.1500 -44.4369
25 C7x C 22.5423 -44.5832
26 O7x O 23.3652 -43.4506
27 C1x C 22.7958 -42.1717
28 O6a O 23.1139 -45.8670
29 C1b C 19.7492 -44.2896
30 C1a C 18.9133 -45.4399
31 O1a O 21.1500 -45.8369
32 N1b N 17.3060 -37.0890
33 C5a C 17.3057 -35.7001
34 O5a O 16.0814 -34.9934
35 C1y C 18.5062 -35.0066
36 C1x C 19.8325 -35.3617
37 C1y C 20.1875 -34.0354
38 C1x C 18.8613 -33.6804
39 O2a O 21.3855 -33.3431
40 C1b C 22.6134 -34.0519
41 N1b N 23.8369 -33.3457
42 C5a C 25.0623 -34.0538
43 C1b C 26.2878 -33.3473
44 O5a O 25.0615 -35.4200
45 N1b N 27.5114 -34.0552
46 C5a C 28.7083 -33.3661
47 C1c C 29.9239 -34.0697
48 O5a O 28.7097 -31.9900
49 N1b N 31.1029 -33.3908
50 C1b C 29.9228 -35.4896
51 C8y C 28.6853 -36.2032
52 C8x C 27.4787 -35.5056
53 C8x C 26.2658 -36.2049
54 C8x C 26.2650 -37.6049
55 C8x C 27.4716 -38.3025
56 C8x C 28.6844 -37.6032
57 C5a C 32.2969 -34.0822
58 C1b C 33.4865 -33.3972
59 O5a O 32.2954 -35.4898
60 N1b N 34.6751 -34.0854
61 C5a C 35.8675 -33.3988
62 C1b C 37.0547 -34.0861
63 O5a O 35.8693 -31.9903
64 N1b N 38.2477 -33.3991
65 C5a C 39.4346 -34.0863
66 O5a O 40.6277 -33.3992
67 C1b C 39.4330 -35.4898
68 C1b C 38.2026 -36.1986
69 C1b C 38.2026 -37.5986
70 C1b C 37.0069 -38.2889
71 C1b C 37.0068 -39.6898
72 N1y N 35.8118 -40.3799
73 C5x C 34.5601 -39.8227
74 C2x C 33.6434 -40.8409
75 C2x C 34.3284 -42.0274
76 C5x C 35.6686 -41.7425
77 O5x O 34.2715 -38.4644
78 O5x O 36.7147 -42.6846
BOND 86
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 3 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 4 13 2
16 7 14 1
17 8 15 1
18 12 16 1
19 16 17 1
20 17 18 1
21 13 18 1
22 16 19 2
23 19 20 1
24 20 21 2
25 21 22 1
26 17 22 1
27 22 23 2
28 20 24 1
29 24 25 1
30 25 26 1
31 26 27 1
32 21 27 1
33 25 28 2
34 24 29 1 #Down
35 29 30 1
36 24 31 1 #Up
37 5 32 1 #Down
38 32 33 1
39 33 34 2
40 35 33 1 #Up
41 35 36 1
42 36 37 1
43 37 38 1
44 35 38 1
45 37 39 1 #Up
46 39 40 1
47 40 41 1
48 41 42 1
49 42 43 1
50 42 44 2
51 43 45 1
52 45 46 1
53 46 47 1
54 46 48 2
55 47 49 1
56 47 50 1 #Up
57 50 51 1
58 51 52 2
59 52 53 1
60 53 54 2
61 54 55 1
62 55 56 2
63 51 56 1
64 49 57 1
65 57 58 1
66 57 59 2
67 58 60 1
68 60 61 1
69 61 62 1
70 61 63 2
71 62 64 1
72 64 65 1
73 65 66 2
74 65 67 1
75 67 68 1
76 68 69 1
77 69 70 1
78 70 71 1
79 71 72 1
80 72 73 1
81 73 74 1
82 74 75 2
83 75 76 1
84 72 76 1
85 73 77 2
86 76 78 2
|
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