KEGG   DRUG: D03745Help
Entry
D03745                      Drug                                   

Name
Zankiren hydrochloride (USAN)
Formula
C35H55N5O6S2. HCl
Exact mass
741.3361
Mol weight
742.432
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Target
renin inhibitor [HSA:5972] [KO:K01380]
  Pathway
hsa04614  Renin-angiotensin system  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   renin
    Zankiren
     D03745  Zankiren hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
138810-64-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        49
            1   C1c C    24.8875  -19.6247
            2   C1b C    24.8875  -21.3017
            3   C5a C    26.1446  -18.9263
            4   N1b N    23.7003  -18.9263
            5   N1b N    27.3318  -19.6247
            6   O5a O    26.1446  -17.5296
            7   C5a C    22.5131  -19.6247
            8   C1c C    28.5190  -18.9263
            9   C1c C    21.2560  -18.9263
            10  O5a O    22.5131  -20.9516
            11  C1b C    28.5190  -17.0407
            12  C1c C    29.7761  -19.6247
            13  C1b C    21.2560  -17.1117
            14  C1b C    20.0688  -19.6247
            15  C1y C    29.4967  -16.2027
            16  C1c C    30.9633  -18.9263
            17  O1a O    29.7062  -20.7420
            18  C8y C    22.5131  -16.4134
            19  C1x C    30.6840  -16.9011
            20  C1x C    29.4967  -14.8060
            21  C1b C    32.1505  -19.6247
            22  C8x C    23.7003  -17.1117
            23  C8x C    22.5131  -15.0166
            24  C1x C    31.8712  -16.2027
            25  C1x C    30.6840  -14.1076
            26  C8x C    24.8875  -16.4134
            27  C8x C    23.7003  -14.3182
            28  C1x C    31.8712  -14.8060
            29  C8x C    24.8875  -15.0166
            30  O1a O    30.9633  -17.5296
            31  C8y C    26.0747  -22.0002
            32  C1c C    33.3658  -18.9362
            33  C1a C    34.5444  -19.6297
            34  C1a C    33.3773  -17.5302
            35  C8x C    26.2095  -23.3904
            36  S2x S    27.5732  -23.6919
            37  C8x C    28.2815  -22.4880
            38  N5x N    27.3553  -21.4424
            39  S4a S    18.8565  -18.9378
            40  N1y N    17.6159  -19.6671
            41  C1x C    16.4176  -18.9875
            42  C1x C    15.2106  -19.6968
            43  N1y N    15.2214  -21.0968
            44  C1x C    16.4196  -21.7763
            45  C1x C    17.6267  -21.0670
            46  C1a C    14.0034  -21.8130
            47  O3c O    19.8465  -17.9479
            48  O3c O    17.8666  -17.9479
            49  X   Cl   33.3608  -21.9386
BOND        51
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1 #Up
            11    8  12 1
            12    9  13 1 #Up
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   22  26 1
            26   23  27 2
            27   24  28 1
            28   26  29 2
            29   25  28 1
            30   27  29 1
            31   16  30 1 #Up
            32    2  31 1
            33   21  32 1
            34   32  33 1
            35   32  34 1
            36   31  35 2
            37   35  36 1
            38   36  37 1
            39   37  38 2
            40   31  38 1
            41   14  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   44  45 1
            48   40  45 1
            49   43  46 1
            50   39  47 2
            51   39  48 2

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