KEGG   DRUG: D05307Help
Entry
D05307                      Drug                                   

Name
Oxmetidine mesylate (USAN)
Formula
C19H21N5O3S. (CH4SO3)2
Exact mass
591.1127
Mol weight
591.6781
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antagonist [to histamine H2 receptors]
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
     Oxmetidine
      D05307  Oxmetidine mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
84455-52-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        38
            1   O1d O    42.3007  -16.1242
            2   S4a S    42.3007  -17.5211
            3   C1a C    40.9039  -17.5211
            4   O1d O    43.6976  -17.5211
            5   O1d O    42.3007  -18.9179
            6   N5x N    36.6100  -12.5300
            7   C8y C    36.6100  -13.9300
            8   N4x N    37.8000  -14.6300
            9   C8x C    39.0600  -13.9300
            10  C8y C    39.0600  -12.5300
            11  C8y C    37.8000  -11.8300
            12  C8y C    41.4400  -12.5300
            13  C1b C    40.2500  -11.8300
            14  C8x C    41.4400  -13.9300
            15  C8x C    42.7000  -14.6300
            16  C8y C    43.8900  -13.9300
            17  C8y C    43.8900  -12.5300
            18  O2x O    45.2200  -14.3500
            19  C1x C    46.0600  -13.2300
            20  O2x O    45.2200  -12.1100
            21  C8x C    42.7000  -11.8300
            22  N1b N    35.4200  -14.6300
            23  C1b C    34.1600  -13.9300
            24  C1b C    32.9700  -14.6300
            25  S2a S    31.7800  -13.9300
            26  C1b C    30.5200  -14.6300
            27  C8y C    29.3300  -13.9300
            28  O5x O    37.8000  -10.4300
            29  N5x N    29.3300  -12.5300
            30  C8x C    28.0000  -12.1100
            31  N4x N    27.1600  -13.2300
            32  C8y C    28.0000  -14.3500
            33  C1a C    27.5800  -15.6800
            34  O1d O    42.3007  -16.1242
            35  S4a S    42.3007  -17.5211
            36  C1a C    40.9039  -17.5211
            37  O1d O    43.6976  -17.5211
            38  O1d O    42.3007  -18.9179
BOND        39
            1     6   7 2
            2     7   8 1
            3     8   9 1
            4     9  10 2
            5    10  11 1
            6     6  11 1
            7    12  13 1
            8    10  13 1
            9    12  14 2
            10   14  15 1
            11   16  17 1
            12   16  18 1
            13   18  19 1
            14   19  20 1
            15   17  20 1
            16   15  16 2
            17   17  21 2
            18   12  21 1
            19    7  22 1
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   25  26 1
            24   26  27 1
            25   11  28 2
            26   27  29 1
            27   29  30 2
            28   30  31 1
            29   31  32 1
            30   27  32 2
            31   32  33 1
            32    1   2 2
            33    2   3 1
            34    2   4 1
            35    2   5 2
            36   34  35 2
            37   35  36 1
            38   35  37 1
            39   35  38 2
BRACKET     1    39.0600  -19.2500   39.0600  -15.6100
            1    45.1500  -15.6100   45.1500  -19.2500
            1  2
 ORIGINAL  1    1   2   3   4   5
 REPEAT    1   34  35  36  37  38

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