| Entry |
|
|---|
| Name |
Lometrexol sodium (USAN) |
|---|
| Formula |
C21H23N5O6. 2Na
|
|---|
| Exact mass |
487.1444
|
|---|
| Mol weight |
487.4168
|
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| Structure |
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|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Efficacy |
Antineoplastic, Antimetabolite |
|---|
| Target |
|
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| Pathway |
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| Interaction |
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| Other map |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Ligases (EC6)
GART
GART
D04766 Lometrexol sodium (USAN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 34
1 C8y C 5.8100 -16.0300
2 N5x N 5.8100 -17.4300
3 C8y C 7.0224 -18.1300
4 C8y C 8.2349 -17.4300
5 C8y C 8.2349 -16.0300
6 N4x N 7.0224 -15.3300
7 C1x C 9.4473 -18.1300
8 C1y C 10.6597 -17.4300
9 C1x C 10.6597 -16.0300
10 N1x N 9.4473 -15.3300
11 O5x O 7.0224 -19.5298
12 N1a N 4.5976 -15.3300
13 C1b C 11.8573 -18.1215
14 C1b C 13.0456 -17.4355
15 C8y C 14.2364 -18.1231
16 C8x C 14.2364 -19.5298
17 C8x C 15.4488 -20.2298
18 C8y C 16.6612 -19.5298
19 C8x C 16.6612 -18.1232
20 C8x C 15.4488 -17.4231
21 C5a C 17.8728 -20.2293
22 N1b N 19.0677 -19.5393
23 O5a O 17.8729 -21.6298
24 C1c C 20.2554 -20.2249
25 C1b C 21.4465 -19.5370
26 C1b C 22.6360 -20.2238
27 C6a C 20.2555 -21.6298
28 O6a O 21.4489 -22.3188 #-
29 O6a O 19.0240 -22.3411
30 C6a C 23.8262 -19.5365
31 O6a O 25.0161 -20.2236 #-
32 O6a O 23.8263 -18.1302
33 Z Na 23.4500 -22.4000 #+
34 Z Na 26.8100 -20.1600 #+
BOND 34
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 3 11 2
13 1 12 1
14 8 13 1 #Down
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 25 26 1
29 24 27 1 #Up
30 27 28 1
31 27 29 2
32 26 30 1
33 30 31 1
34 30 32 2
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