KEGG   DRUG: Pibutidine hydrochlorideHelp
Entry
D01861                      Drug                                   

Name
Pibutidine hydrochloride (JAN);
IT 066
Formula
C19H24N4O3. HCl
Exact mass
392.1615
Mol weight
392.8798
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
 DG01975  Agents for peptic ulcer
  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
     Pibutidine
      D01861  Pibutidine hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 
126463-66-9
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
KCF data Show

ATOM        27
            1   X   Cl   34.4382  -22.4431
            2   C1x C    13.1812  -22.0221
            3   C1x C    13.1812  -23.4252
            4   C1x C    14.3739  -24.1268
            5   N1y N    15.6367  -23.4252
            6   C1x C    15.6367  -22.0221
            7   C1x C    14.3739  -21.3206
            8   C1b C    16.8293  -24.1268
            9   C8y C    18.0219  -23.4252
            10  C8x C    19.2146  -24.1268
            11  C8y C    20.4773  -23.4252
            12  N5x N    20.4773  -22.0221
            13  C8x C    19.2847  -21.3206
            14  C8x C    18.0219  -22.0221
            15  O2a O    21.6700  -24.1268
            16  C1b C    22.8626  -23.4252
            17  C2b C    24.0552  -24.1268
            18  C2b C    25.4583  -24.1268
            19  C1b C    26.6510  -23.4252
            20  N1b N    27.8436  -24.1268
            21  C2y C    29.0362  -23.4252
            22  C5x C    29.0362  -22.0221
            23  C2y C    30.4393  -23.4252
            24  C5x C    30.4393  -22.0221
            25  N1a N    31.6320  -24.1268
            26  O5x O    28.0442  -21.0301
            27  O5x O    31.4314  -21.0301
BOND        28
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   11  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   19  20 1
            20   19  18 1
            21   20  21 1
            22   22  21 1
            23   21  23 2
            24   23  24 1
            25   22  24 1
            26   23  25 1
            27   22  26 2
            28   24  27 2

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