KEGG   DRUG: Zoniporide mesylate
Entry
D09036                      Drug                                   

Name
Zoniporide mesylate (INN/USAN)
Formula
C17H16N6O. CH4SO3
Exact mass
416.1267
Mol weight
416.4542
Structure
Efficacy
Cardioprotectant, Na+/H+ antiport inhibitor
Comment
Cardioprotective, (Na+-H+ exchanger-1 NHE-1) inhibitor
Target
SLC9A1 (NHE1) [HSA:6548] [KO:K05742]
  Pathway
hsa04260  Cardiac muscle contraction
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC9
    SLC9A1 (NHE1)
     D09036  Zoniporide mesylate (INN/USAN)
Other DBs
CAS: 249296-45-5
PubChem: 96025719
ChEMBL: CHEMBL2107388
LigandBox: D09036
LinkDB
KCF data

ATOM        29
            1   C5a C    21.2100  -14.6300
            2   N1b N    20.0200  -15.3300
            3   O5a O    21.2100  -13.3000
            4   C2c C    18.8300  -14.6300
            5   N1a N    17.6400  -15.3300
            6   N2a N    18.8300  -13.3000
            7   C8y C    22.3943  -15.3612
            8   C8y C    22.7867  -16.7051
            9   N4y N    24.1861  -16.7472
            10  N5x N    24.6585  -15.4293
            11  C8x C    23.5512  -14.5728
            12  C8y C    24.9770  -17.9077
            13  C1y C    21.9310  -17.8115
            14  C8x C    24.3669  -19.1737
            15  C8x C    25.1553  -20.3306
            16  C8x C    26.5514  -20.2264
            17  C8y C    27.1615  -18.9604
            18  C8y C    26.3731  -17.8034
            19  N5x N    28.5576  -18.8561
            20  C8x C    29.1653  -17.5949
            21  C8x C    28.3770  -16.4380
            22  C8x C    26.9809  -16.5422
            23  C1x C    20.5787  -18.1739
            24  C1x C    21.5687  -19.1638
            25  C1a C    32.9700  -16.1700
            26  S4a S    34.3700  -16.1700
            27  O1d O    34.3700  -14.7700
            28  O1d O    35.7000  -16.1700
            29  O1d O    34.3700  -17.5700
BOND        31
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     4   5 1
            5     4   6 2
            6     7   8 2
            7     8   9 1
            8     9  10 1
            9    10  11 2
            10    7  11 1
            11    1   7 1
            12    9  12 1
            13    8  13 1
            14   12  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   12  18 1
            20   17  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   18  22 1
            25   13  23 1
            26   13  24 1
            27   23  24 1
            28   25  26 1
            29   26  27 2
            30   26  28 1
            31   26  29 2

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