KEGG   DRUG: Lavoltidine succinateHelp
Entry
D04680                      Drug                                   

Name
Lavoltidine succinate (USAN)
Formula
(C19H29N5O2)2. C4H6O4
Exact mass
836.4909
Mol weight
837.0198
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
Activity
Anti-ulcerative, H2 receptor antagonist
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor
     Lavoltidine
      D04680  Lavoltidine succinate (USAN)
BRITE hierarchy
Other DBs
CAS: 
86160-82-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        60
            1   C6a C    37.4833  -21.9360
            2   C1b C    36.2640  -22.6452
            3   O6a O    38.7086  -22.6452
            4   O6a O    37.4833  -20.5348
            5   C1b C    35.0505  -21.9418
            6   C6a C    33.8370  -22.6510
            7   O6a O    32.6175  -21.9478
            8   O6a O    33.8370  -24.0522
            9   N1b N    33.0304  -18.8648
            10  C8x C    24.5461  -16.7717
            11  C8y C    24.5441  -18.1769
            12  C8x C    25.7591  -18.8818
            13  C8y C    26.9700  -18.1760
            14  C8x C    26.9651  -16.7655
            15  C8x C    25.7561  -16.0742
            16  O2a O    28.1854  -18.8789
            17  C1b C    29.3968  -18.1747
            18  C1b C    30.6078  -18.8719
            19  C1b C    31.8191  -18.1676
            20  C1b C    23.3289  -18.8801
            21  N1y N    22.1149  -18.1750
            22  C1x C    22.1268  -16.7725
            23  C1x C    20.9199  -16.0747
            24  C1x C    19.7005  -16.7648
            25  C1x C    19.6961  -18.1678
            26  C1x C    20.9110  -18.8805
            27  C8y C    34.2427  -18.1566
            28  N4y N    34.2427  -16.7550
            29  C1a C    33.0483  -16.0653
            30  N5x N    35.5757  -18.5898
            31  C8y C    36.3996  -17.4558
            32  N5x N    35.5757  -16.3219
            33  C1b C    37.7759  -17.4557
            34  O1a O    38.4793  -16.2372
            35  N1b N    33.0304  -18.8648
            36  C8y C    34.2427  -18.1566
            37  N4y N    34.2427  -16.7550
            38  C1a C    33.0483  -16.0653
            39  N5x N    35.5757  -16.3219
            40  C8y C    36.3996  -17.4558
            41  N5x N    35.5757  -18.5898
            42  C1b C    37.7759  -17.4557
            43  O1a O    38.4793  -16.2372
            44  C1b C    31.8191  -18.1676
            45  C1b C    30.6078  -18.8719
            46  C1b C    29.3968  -18.1747
            47  O2a O    28.1854  -18.8789
            48  C8y C    26.9700  -18.1760
            49  C8x C    25.7591  -18.8818
            50  C8y C    24.5441  -18.1769
            51  C1b C    23.3289  -18.8801
            52  N1y N    22.1149  -18.1750
            53  C1x C    22.1268  -16.7725
            54  C1x C    20.9199  -16.0747
            55  C1x C    19.7005  -16.7648
            56  C1x C    19.6961  -18.1678
            57  C1x C    20.9110  -18.8805
            58  C8x C    24.5461  -16.7717
            59  C8x C    25.7561  -16.0742
            60  C8x C    26.9651  -16.7655
BOND        63
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  20 1
            9    12  13 2
            10   20  21 1
            11   21  22 1
            12   13  14 1
            13   14  15 2
            14   15  10 1
            15   21  26 1
            16   22  23 1
            17   23  24 1
            18   24  25 1
            19   25  26 1
            20    9  27 1
            21   16  17 1
            22   17  18 1
            23   10  11 2
            24   18  19 1
            25   19   9 1
            26   16  13 1
            27   11  12 1
            28   27  28 1
            29   28  29 1
            30   27  30 2
            31   30  31 1
            32   31  32 2
            33   28  32 1
            34   31  33 1
            35   33  34 1
            36   50  51 1
            37   49  48 2
            38   51  52 1
            39   52  53 1
            40   48  60 1
            41   60  59 2
            42   59  58 1
            43   52  57 1
            44   53  54 1
            45   54  55 1
            46   55  56 1
            47   56  57 1
            48   35  36 1
            49   47  46 1
            50   46  45 1
            51   58  50 2
            52   45  44 1
            53   44  35 1
            54   47  48 1
            55   50  49 1
            56   36  37 1
            57   37  38 1
            58   36  41 2
            59   41  40 1
            60   40  39 2
            61   37  39 1
            62   40  42 1
            63   42  43 1
BRACKET     1    19.3200  -20.1600   19.3200  -15.0500
            1    39.6200  -15.0500   39.6200  -20.1600
            1  2
 ORIGINAL  1    9  27  28  29  32  31  30  33  34  19  18  17  16  13  12  11
            1   20  21  22  23  24  25  26  10  15  14
 REPEAT    1   35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50
            1   51  52  53  54  55  56  57  58  59  60

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