KEGG   DRUG: D01861Help
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
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 [HSA:3274] [KO:K04150]
     Pibutidine
      D01861  Pibutidine hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 
126463-66-9
PubChem: 
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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