| Entry |
|
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| Name |
Brasofensine maleate (USAN) |
|---|
| Formula |
C16H20Cl2N2O. C4H4O4
|
|---|
| Exact mass |
442.1062
|
|---|
| Mol weight |
443.32
|
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| Structure |
|
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| Efficacy |
Antiparkinsonian, Dopamine reuptake inhibitor |
|---|
| Target |
|
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| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A3 (DAT1)
D03153 Brasofensine maleate (USAN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 O6a O 14.9976 -16.0256
2 C6a C 16.3710 -16.0256
3 O6a O 16.9890 -17.1930
4 C2b C 16.9890 -14.8582
5 C2b C 18.6369 -14.8582
6 C6a C 19.3237 -16.0256
7 O6a O 20.6283 -16.0256
8 O6a O 18.6369 -17.1930
9 C1x C 3.8038 -16.5708
10 C1x C 4.1319 -15.3991
11 C1y C 4.9755 -16.2896
12 C1y C 5.3036 -15.1179
13 N1y N 4.0382 -13.8056
14 C1x C 6.8502 -16.2896
15 C1y C 6.5690 -15.1179
16 C1y C 7.8813 -16.8520
17 C8y C 8.9593 -17.7425
18 C1a C 2.8089 -14.4183
19 C2b C 7.1937 -13.8617
20 N2b N 8.6073 -13.8438
21 O2a O 9.2857 -12.6338
22 C1a C 10.7099 -12.6164
23 C8x C 8.9593 -19.1425
24 C8x C 10.1717 -19.8425
25 C8y C 11.3842 -19.1425
26 C8y C 11.3842 -17.7425
27 C8x C 10.1717 -17.0425
28 X Cl 12.6013 -19.8454
29 X Cl 12.6302 -17.0236
BOND 30
1 1 2 1
2 2 3 2
3 2 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 6 8 1
8 9 10 1
9 9 11 1
10 10 12 1
11 11 13 1
12 11 14 1
13 12 15 1
14 14 16 1
15 16 17 1 #Down
16 12 13 1
17 15 16 1
18 13 18 1
19 15 19 1 #Up
20 19 20 2
21 20 21 1
22 21 22 1
23 17 23 2
24 23 24 1
25 24 25 2
26 25 26 1
27 26 27 2
28 17 27 1
29 25 28 1
30 26 29 1
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