KEGG   DRUG: D04494Help
Entry
D04494                      Drug                                   

Name
Icotidine (USAN)
Formula
C21H25N5O2
Exact mass
379.2008
Mol weight
379.4555
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antagonist [to histamine H2 and H1 receptors]
Remark
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149];
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
    H1-receptor
     Icotidine
      D04494  Icotidine (USAN)
    H2-receptor
     Icotidine
      D04494  Icotidine (USAN)
BRITE hierarchy
Other DBs
CAS: 
71351-79-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8x C    12.3200   -8.8200
            2   C8x C    12.3200  -10.2200
            3   C8y C    13.5324  -10.9200
            4   C8y C    14.7449  -10.2200
            5   N5x N    14.7449   -8.8200
            6   C8x C    13.5324   -8.1200
            7   O2a O    13.5324  -12.3198
            8   C1a C    12.3032  -13.0297
            9   C1b C    15.9760  -10.9310
            10  C1b C    17.1812  -10.2353
            11  C1b C    18.3635  -10.9181
            12  C1b C    19.5575  -10.2288
            13  N1b N    20.7454  -10.9148
            14  C8y C    21.9365  -10.2271
            15  N5x N    23.1259  -10.9139
            16  C8y C    24.3384  -10.2140
            17  C8y C    24.3385   -8.8140
            18  C8x C    23.1491   -8.1272
            19  N4x N    21.9366   -8.8271
            20  O5x O    25.5695  -10.9250
            21  C1b C    25.5644   -8.1062
            22  C8y C    26.7719   -8.8034
            23  C8x C    26.7723  -10.2196
            24  C8x C    27.9849  -10.9193
            25  C8y C    29.1971  -10.2190
            26  N5x N    29.1968   -8.8027
            27  C8x C    27.9841   -8.1031
            28  C1a C    30.4048  -10.9159
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   14  19 1
            21   16  20 2
            22   17  21 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   21  22 1
            30   25  28 1

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