KEGG   DRUG: Brasofensine maleate
Entry
D03153                      Drug                                   

Name
Brasofensine maleate (USAN)
Formula
C16H20Cl2N2O. C4H4O4
Exact mass
442.1062
Mol weight
443.321
Structure
Class
Neuropsychiatric agent
 DG01967  Antiparkinson agent
Efficacy
Antiparkinsonian, Dopamine reuptake inhibitor
Target
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
  Pathway
hsa04728  Dopaminergic synapse
Interaction
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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