KEGG   DRUG: D03494Help
Entry
D03494                      Drug                                   

Name
Ciladopa hydrochloride (USAN);
Tremerase (TN)
Formula
C21H26N2O4. HCl
Exact mass
406.1659
Mol weight
406.9031
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiparkinsonian;
Dopaminergic agent
Target
dopamine D1 receptor agonist [HSA:1812] [KO:K04144];
dopamine D2 receptor agonist [HSA:1813] [KO:K04145]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04540  Gap junction  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    dopamine D1-receptor [HSA:1812] [KO:K04144]
     Ciladopa
      D03494  Ciladopa hydrochloride (USAN)
    dopamine D2-receptor [HSA:1813] [KO:K04145]
     Ciladopa
      D03494  Ciladopa hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
83529-09-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   C8y C    13.4400  -17.6400
            2   C8y C    13.4400  -19.0400
            3   C8x C    14.6300  -19.7400
            4   C8x C    15.8900  -19.0400
            5   C8y C    15.8900  -17.6400
            6   C8x C    14.6300  -16.9400
            7   O2a O    12.2500  -19.7400
            8   C1a C    11.0600  -19.0400
            9   C1c C    17.0800  -16.9400
            10  C1b C    18.2700  -17.6400
            11  N1y N    19.4600  -16.9400
            12  O2a O    12.2500  -16.9400
            13  C1a C    11.0600  -17.6400
            14  O1a O    17.0800  -15.5400
            15  C1x C    20.7200  -17.6400
            16  C1x C    21.9800  -16.9400
            17  N1y N    21.9800  -15.5400
            18  C1x C    20.7900  -14.8400
            19  C1x C    19.4600  -15.5400
            20  C2y C    23.1700  -14.8400
            21  C2x C    23.2400  -13.4400
            22  C2x C    24.2900  -12.6700
            23  C2x C    25.6900  -12.9500
            24  C5x C    24.2900  -15.7500
            25  C2x C    26.2500  -14.2800
            26  C2x C    25.6200  -15.4700
            27  O5x O    23.9400  -17.0800
            28  X   Cl   22.6800  -19.7400
BOND        29
            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     2   7 1
            8     7   8 1
            9     5   9 1
            10    9  10 1
            11   10  11 1
            12    1  12 1
            13   12  13 1
            14    9  14 1 #Down
            15   11  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   11  19 1
            21   17  20 1
            22   22  23 2
            23   20  24 1
            24   23  25 1
            25   21  22 1
            26   24  26 1
            27   20  21 2
            28   25  26 2
            29   24  27 2

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