KEGG   DRUG: D03889Help
Entry
D03889                      Drug                                   

Name
Donetidine (USAN)
Formula
C20H25N5O3S
Exact mass
415.1678
Mol weight
415.5092
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antagonist [to histamine H2 receptors]
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
     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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