KEGG   DRUG: Zanapezil fumarate
Entry
D09835                      Drug                                   

Name
Zanapezil fumarate (JAN)
Formula
C25H32N2O. C4H4O4
Exact mass
492.2624
Mol weight
492.6065
Structure
Simcomp
Efficacy
Nootropic, Acetylcholinesterase inhibitor
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa04725  Cholinergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D09835  Zanapezil fumarate (JAN)
Other DBs
CAS: 142852-51-5
PubChem: 124490574
ChEMBL: CHEMBL2358658
LigandBox: D09835
KCF data

ATOM        36
            1   C8x C    19.5300  -22.4700
            2   C8x C    19.5300  -21.0700
            3   C8x C    18.3400  -20.3700
            4   C8y C    17.0800  -21.0700
            5   C8x C    17.0800  -22.4700
            6   C8x C    18.3400  -23.1700
            7   C1b C    15.8900  -20.3700
            8   N1y N    14.7000  -21.0700
            9   C1x C    13.5100  -20.3700
            10  C1x C    12.2500  -21.0700
            11  C1y C    12.2500  -22.4700
            12  C1x C    13.4400  -23.1700
            13  C1x C    14.7000  -22.4700
            14  C1b C    11.0600  -23.1700
            15  C1b C     9.8700  -22.4700
            16  C5a C     8.6800  -23.1700
            17  C8y C     7.4900  -22.4700
            18  O5a O     8.6800  -24.5700
            19  C8x C     7.4900  -21.0700
            20  C8x C     6.2300  -20.3700
            21  C8y C     5.0400  -21.0700
            22  C8y C     5.0400  -22.4700
            23  C8x C     6.2300  -23.1700
            24  N1x N     3.9200  -23.3800
            25  C1x C     2.5900  -23.0300
            26  C1x C     1.9600  -21.7700
            27  C1x C     2.5900  -20.5100
            28  C1x C     3.9200  -20.2300
            29  C6a C    23.8000  -22.2600
            30  C2b C    25.0600  -22.9600
            31  O6a O    22.6100  -22.9600
            32  C2b C    26.2500  -22.3300
            33  C6a C    27.4400  -22.9600
            34  O6a O    28.6300  -22.3300
            35  O6a O    27.4400  -24.4300
            36  O6a O    23.8000  -20.8600
BOND        38
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   17  23 1
            26   25  26 1
            27   26  27 1
            28   24  25 1
            29   21  28 1
            30   22  24 1
            31   27  28 1
            32   29  30 1
            33   29  31 1
            34   30  32 2
            35   32  33 1
            36   33  34 1
            37   33  35 2
            38   29  36 2

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