KEGG   DRUG: D08138Help
Entry
D08138                      Drug                                   

Name
Lobeline sulfate;
Smokeless (TN)
Formula
(C22H27NO2)2. H2SO4
Exact mass
772.3757
Mol weight
772.989
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Analeptic;
Nicotine withdrawal agent
Remark
Drug group: 
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa05033  Nicotine addiction  
 
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    nicotinic cholinergic receptor
     Lobeline
      D08138  Lobeline sulfate
BRITE hierarchy
Other DBs
CAS: 
134-64-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        55
            1   C8x C    13.8155  -18.3088
            2   C8x C    13.8155  -19.7118
            3   C8x C    15.0782  -20.3431
            4   C8x C    16.2707  -19.7118
            5   C8y C    16.2707  -18.3088
            6   C8x C    15.0782  -17.6073
            7   C5a C    17.5333  -17.6073
            8   C1b C    18.7259  -18.3088
            9   O5a O    17.5333  -16.2044
            10  C1y C    19.9184  -17.6073
            11  N1y N    21.0408  -18.3088
            12  C1y C    22.2333  -17.6073
            13  C1x C    22.2333  -16.2044
            14  C1x C    21.0408  -15.5029
            15  C1x C    19.9184  -16.2044
            16  C1b C    23.4959  -18.3088
            17  C1c C    24.6885  -17.6073
            18  C8y C    25.8810  -18.3088
            19  C8x C    25.8810  -19.7118
            20  C8x C    27.0735  -20.3431
            21  C8x C    28.3362  -19.7118
            22  C8x C    28.3362  -18.3088
            23  C8x C    27.0735  -17.6073
            24  O1a O    24.6885  -16.2044
            25  C1a C    21.0408  -19.8521
            26  S4a S    33.1062  -17.6073
            27  O1d O    33.1062  -16.2044
            28  O1d O    31.7033  -17.6073
            29  O1d O    34.5092  -17.6073
            30  O1d O    33.1062  -19.0103
            31  C8x C    13.8155  -18.3088
            32  C8x C    13.8155  -19.7118
            33  C8x C    15.0782  -20.3431
            34  C8x C    16.2707  -19.7118
            35  C8y C    16.2707  -18.3088
            36  C8x C    15.0782  -17.6073
            37  C5a C    17.5333  -17.6073
            38  C1b C    18.7259  -18.3088
            39  C1y C    19.9184  -17.6073
            40  N1y N    21.0408  -18.3088
            41  C1y C    22.2333  -17.6073
            42  C1x C    22.2333  -16.2044
            43  C1x C    21.0408  -15.5029
            44  C1x C    19.9184  -16.2044
            45  C1b C    23.4959  -18.3088
            46  C1c C    24.6885  -17.6073
            47  C8y C    25.8810  -18.3088
            48  C8x C    25.8810  -19.7118
            49  C8x C    27.0735  -20.3431
            50  C8x C    28.3362  -19.7118
            51  C8x C    28.3362  -18.3088
            52  C8x C    27.0735  -17.6073
            53  O1a O    24.6885  -16.2044
            54  C1a C    21.0408  -19.8521
            55  O5a O    17.5333  -16.2044
BOND        58
            1    26  27 2
            2    26  28 1
            3    26  29 1
            4    26  30 2
            5     1   2 2
            6     2   3 1
            7     3   4 2
            8     4   5 1
            9     5   6 2
            10    1   6 1
            11    5   7 1
            12    7   8 1
            13    7   9 2
            14   10   8 1
            15   10  11 1
            16   11  12 1
            17   12  13 1
            18   13  14 1
            19   14  15 1
            20   10  15 1
            21   12  16 1
            22   16  17 1
            23   17  18 1
            24   18  19 2
            25   19  20 1
            26   20  21 2
            27   21  22 1
            28   22  23 2
            29   18  23 1
            30   17  24 1 #Down
            31   11  25 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   31  36 1
            38   35  37 1
            39   37  38 1
            40   37  55 2
            41   39  38 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   39  44 1
            48   41  45 1
            49   45  46 1
            50   46  47 1
            51   47  48 2
            52   48  49 1
            53   49  50 2
            54   50  51 1
            55   51  52 2
            56   47  52 1
            57   46  53 1 #Down
            58   40  54 1
BRACKET     1    12.8800  -21.4200   12.8800  -13.8600
            1    28.7700  -13.8600   28.7700  -21.4200
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8  10  11  12  13  14  15  16  17
            1   18  19  20  21  22  23  24  27  25  26   9
 REPEAT    1   33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48
            1   49  50  51  52  53  54  55  56  57  58  59

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