KEGG   DRUG: Brasofensine maleate
Entry
D03153                      Drug                                   
Name
Brasofensine maleate (USAN)
Formula
C16H20Cl2N2O. C4H4O4
Exact mass
442.1062
Mol weight
443.321
Structure
Efficacy
Antiparkinsonian, Dopamine reuptake inhibitor
Target
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
  Pathway
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A3 (DAT1)
     D03153  Brasofensine maleate (USAN)
Other DBs
CAS: 173830-14-3
PubChem: 17397307
LigandBox: D03153
LinkDB
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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