KEGG   DRUG: D05306Help
Entry
D05306                      Drug                                   

Name
Oxmetidine hydrochloride (USAN)
Formula
C19H21N5O3S. 2HCl
Exact mass
471.0899
Mol weight
472.3886
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  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor
     Oxmetidine
      D05306  Oxmetidine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
63204-23-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   X   Cl   40.2718  -19.8518
            2   N5x N    32.9700  -15.9600
            3   C8y C    32.9700  -17.3600
            4   N4x N    34.1824  -18.0600
            5   C8x C    35.3949  -17.3600
            6   C8y C    35.3949  -15.9600
            7   C8y C    34.1824  -15.2600
            8   C8y C    37.8197  -15.9600
            9   C1b C    36.6073  -15.2600
            10  C8x C    37.8197  -17.3599
            11  C8x C    39.0322  -18.0599
            12  C8y C    40.2446  -17.3600
            13  C8y C    40.2446  -15.9600
            14  O2x O    41.5761  -17.7926
            15  C1x C    42.3990  -16.6600
            16  O2x O    41.5761  -15.5274
            17  C8x C    39.0322  -15.2600
            18  N1b N    31.7576  -18.0600
            19  C1b C    30.5451  -17.3600
            20  C1b C    29.3327  -18.0600
            21  S2a S    28.1203  -17.3600
            22  C1b C    26.9078  -18.0600
            23  C8y C    25.6954  -17.3600
            24  O5x O    34.1824  -13.8602
            25  N5x N    25.6954  -15.9600
            26  C8x C    24.3639  -15.5274
            27  N4x N    23.5410  -16.6600
            28  C8y C    24.3639  -17.7926
            29  C1a C    23.9346  -19.1138
            30  X   Cl   40.2718  -19.8518
BOND        31
            1     2   3 2
            2     3   4 1
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 1
            7     8   9 1
            8     6   9 1
            9     8  10 2
            10   10  11 1
            11   12  13 1
            12   12  14 1
            13   14  15 1
            14   15  16 1
            15   13  16 1
            16   11  12 2
            17   13  17 2
            18    8  17 1
            19    3  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25    7  24 2
            26   23  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 1
            30   23  28 2
            31   28  29 1
BRACKET     1    38.6400  -20.5100   38.6400  -19.1800
            1    41.1600  -19.1800   41.1600  -20.5100
            1  2
 ORIGINAL  1    1
 REPEAT    1   30

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