KEGG   DRUG: DonetidineHelp
Entry
D03889                      Drug                                   

Name
Donetidine (USAN)
Formula
C20H25N5O3S
Exact mass
415.1678
Mol weight
415.5092
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
Unclassified
  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
     Donetidine
      D03889  Donetidine (USAN)
BRITE hierarchy
Other DBs
CAS: 
99248-32-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8x C    15.2600  -21.4900
            2   C8x C    13.8600  -21.4900
            3   C8y C    13.4400  -22.8200
            4   O2x O    14.5600  -23.6600
            5   C8y C    15.6800  -22.8200
            6   C1b C    12.2500  -23.5200
            7   N1c N    10.9900  -22.8200
            8   C1a C     9.8000  -23.5200
            9   C1a C    10.9900  -21.4200
            10  C1b C    16.8924  -23.5200
            11  S2a S    18.1049  -22.8200
            12  C1b C    19.3173  -23.5200
            13  C1b C    20.5297  -22.8200
            14  N1b N    21.7422  -23.5200
            15  C8y C    22.9546  -22.8200
            16  N4x N    24.1711  -23.5223
            17  C8x C    25.3835  -22.8223
            18  C8y C    25.3835  -21.4223
            19  C8y C    24.1671  -20.7200
            20  N5x N    22.9546  -21.4200
            21  O5x O    24.1671  -19.3201
            22  C1b C    26.6167  -20.7102
            23  C8y C    27.8208  -21.4053
            24  C8x C    27.8212  -22.8197
            25  C8y C    29.0338  -23.5193
            26  N4x N    30.2461  -22.8190
            27  C8x C    30.2457  -21.4046
            28  C8x C    29.0331  -20.7049
            29  O5x O    29.0342  -24.9199
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     3   6 1
            7     6   7 1
            8     7   8 1
            9     7   9 1
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   15  20 2
            22   19  21 2
            23   18  22 1
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 2
            30   23  28 1
            31   25  29 2

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