KEGG   DRUG: D08271Help
Entry
D08271                      Drug                                   

Name
Nicergoline tartrate;
Sermion (TN)
Formula
C24H26BrN3O3. (C4H6O6)x
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator
Remark
ATC code: 
Drug group: 
Target
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AE Ergot alkaloids
     C04AE02 Nicergoline
      D08271  Nicergoline tartrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Nicergoline
      D08271  Nicergoline tartrate
BRITE hierarchy
Other DBs
CAS: 
32222-75-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        41
            1   C8x C    14.7000  -19.1100
            2   C8x C    14.7000  -20.5100
            3   C8y C    15.8900  -21.2100
            4   C8x C    15.9600  -18.4100
            5   C8y C    17.0800  -19.1100
            6   C8y C    17.0800  -20.5100
            7   C8y C    18.2700  -21.2100
            8   C1x C    19.4600  -20.5100
            9   C1z C    18.3400  -18.4800
            10  C1y C    19.4600  -19.1800
            11  N1y N    20.7200  -18.4800
            12  C1x C    20.7200  -17.1500
            13  C1y C    19.5300  -16.4500
            14  C1x C    18.3400  -17.0800
            15  C1a C    21.8400  -19.1800
            16  C1b C    19.5300  -15.0500
            17  O7a O    20.7200  -14.3500
            18  C7a C    21.9100  -15.0500
            19  C8y C    23.1000  -14.4200
            20  O6a O    21.9100  -16.4500
            21  C8x C    24.2900  -15.1200
            22  C8y C    25.4800  -14.4200
            23  C8x C    25.4800  -13.0900
            24  N5x N    24.3600  -12.3900
            25  C8x C    23.1000  -13.0200
            26  X   Br   26.6700  -15.1200
            27  O2a O    17.0800  -17.7800
            28  C1a C    17.0800  -16.3800
            29  N4y N    15.8900  -22.5400
            30  C8x C    18.2700  -22.5400
            31  C1a C    14.9100  -23.5200
            32  O6a O    27.1600  -19.8100
            33  C6a C    28.3724  -19.1100
            34  C1c C    29.5849  -19.8100
            35  C1c C    30.7973  -19.1100
            36  C6a C    32.0097  -19.8100
            37  O6a O    33.2222  -19.1100
            38  O1a O    29.5849  -21.2098
            39  O1a O    30.7973  -17.7100
            40  O6a O    28.3724  -17.7102
            41  O6a O    32.0097  -21.2099
BOND        44
            1    11  15 1
            2     6   7 1
            3    13  16 1 #Up
            4     7   8 1
            5    16  17 1
            6     8  10 1
            7    17  18 1
            8     9   5 1
            9    18  19 1
            10    5   4 2
            11   18  20 2
            12    4   1 1
            13    1   2 2
            14    2   3 1
            15    3   6 2
            16   19  21 2
            17   21  22 1
            18   22  23 2
            19   23  24 1
            20   24  25 2
            21   25  19 1
            22    9  10 1
            23   22  26 1
            24   10  11 1
            25    9  27 1 #Down
            26   11  12 1
            27   27  28 1
            28   12  13 1
            29   13  14 1
            30    3  29 1
            31   14   9 1
            32    7  30 2
            33   29  30 1
            34    5   6 1
            35   29  31 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   34  38 1 #Up
            42   35  39 1 #Up
            43   33  40 2
            44   36  41 2
BRACKET     1    25.6900  -22.3300   25.6900  -16.4500
            1    34.9300  -16.4500   34.9300  -22.3300
            1  x
 ORIGINAL  1   33  34  35  36  37  38  39  40  41  42
 REPEAT    1

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