KEGG   DRUG: D04680Help
Entry
D04680                      Drug                                   

Name
Lavoltidine succinate (USAN)
Formula
(C19H29N5O2)2. C4H6O4
Exact mass
836.4909
Mol weight
837.0198
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-ulcerative [histamine H2-receptor blocker]
Remark
Drug group: 
Target
H2-receptor antagonist [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  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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