KEGG   DRUG: D01987Help
Entry
D01987                      Drug                                   

Name
Pipethanate ethobromide (JAN);
Panpurol (TN)
Formula
C23H30NO3. Br
Exact mass
447.1409
Mol weight
448.3932
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
muscarinic cholinergic receptor antagonist [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
     Pipethanate
      D01987  Pipethanate ethobromide (JAN)
BRITE hierarchy
Other DBs
CAS: 
23182-46-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   X   Br   29.3939  -21.4153 #-
            2   C1x C    16.2372  -19.9456
            3   N2y N    17.4493  -20.6455 #+
            4   C1b C    18.6615  -19.9456
            5   C1b C    19.8736  -20.6455
            6   O7a O    21.0856  -19.9456
            7   C7a C    22.2978  -20.6455
            8   C1d C    23.5099  -19.9456
            9   C8y C    24.7221  -20.6455
            10  C8x C    25.9343  -19.9456
            11  C1x C    15.0250  -20.6455
            12  C1x C    15.0250  -22.0452
            13  C1x C    16.2372  -22.7450
            14  C1x C    17.4493  -22.0452
            15  C8y C    23.5099  -18.5460
            16  C8x C    24.7262  -17.8438
            17  C8x C    24.7262  -16.4443
            18  C8x C    23.5139  -15.7444
            19  C8x C    22.2978  -16.4466
            20  C8x C    22.2978  -17.8461
            21  C8x C    24.7221  -22.0452
            22  C8x C    25.9343  -22.7450
            23  C8x C    27.1464  -22.0452
            24  C8x C    27.1464  -20.6455
            25  O1a O    24.7221  -19.2458
            26  O6a O    22.2978  -22.0449
            27  C1b C    17.4493  -19.2455
            28  C1a C    16.2244  -18.5382
BOND        29
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     2  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14   3 1
            14    8  15 1
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   15  20 2
            21    9  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  10 2
            26    8  25 1
            27    7  26 2
            28    3  27 1
            29   27  28 1

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