Entry |
|
Name |
Talotrexin ammonium (USAN) |
Formula |
C27H27N9O6. NH3
|
Exact mass |
590.235
|
Mol weight |
590.5905
|
Structure |
|
Class |
|
Efficacy |
Antineoplastic, Antimetabolite |
Target |
|
Pathway |
|
Interaction |
|
Other map |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
D05999 Talotrexin ammonium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D05999 Talotrexin ammonium (USAN)
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Other DBs |
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LinkDB |
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KCF data |
ATOM 43
1 N5x N 7.0000 -13.4400
2 C8y C 7.0000 -12.0400
3 N5x N 8.1900 -11.3400
4 C8y C 9.4500 -12.0400
5 C8y C 9.4500 -13.4400
6 C8y C 8.1900 -14.1400
7 N5x N 10.6400 -11.3400
8 C8x C 11.8300 -12.0400
9 C8y C 11.8300 -13.4400
10 N5x N 10.6400 -14.1400
11 N1a N 8.1900 -15.5400
12 N1a N 5.8100 -11.3400
13 C1b C 13.0453 -14.1351
14 N1b N 14.2337 -13.4423
15 C8y C 15.4301 -14.1265
16 C8x C 15.3661 -15.5395
17 C8x C 16.6515 -16.2344
18 C8y C 17.8610 -15.5292
19 C8x C 17.8550 -14.1162
20 C8x C 16.6396 -13.4214
21 C5a C 19.0727 -16.2220
22 N1b N 20.2499 -15.5356
23 O5a O 19.0091 -17.6395
24 C1c C 21.4521 -16.2231
25 C1b C 22.6303 -15.5363
26 C6a C 21.4583 -17.6395
27 O6a O 22.6977 -18.3481
28 O6a O 20.2726 -18.3313
29 C1b C 23.8318 -16.2235
30 C1b C 25.0104 -15.5366
31 N1b N 26.2117 -16.2237
32 C5a C 27.3906 -15.5368
33 C8y C 28.5916 -16.2239
34 O5a O 27.3850 -14.1401
35 C8x C 28.5275 -17.6395
36 C8x C 29.8128 -18.3344
37 C8x C 31.0223 -17.6294
38 C8x C 31.0164 -16.2138
39 C8y C 29.8011 -15.5189
40 C6a C 29.7956 -14.1402
41 O6a O 28.5988 -13.4553
42 O6a O 31.0235 -13.4247
43 N0 N 26.1100 -19.8100
BOND 45
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 6 11 1
13 2 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 24 25 1
28 24 26 1 #Up
29 26 27 1
30 26 28 2
31 25 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 32 34 2
37 33 35 2
38 35 36 1
39 36 37 2
40 37 38 1
41 38 39 2
42 33 39 1
43 39 40 1
44 40 41 2
45 40 42 1
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