KEGG   DRUG: D01070Help
Entry
D01070                      Drug                                   

Name
Candoxatril (JAN/USAN/INN)
Formula
C29H41NO7
Exact mass
515.2883
Mol weight
515.6383
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Target
neutral endopeptidase inhibitor [HSA:4311] [KO:K01389]
  Pathway
hsa04614  Renin-angiotensin system  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   neutral endopeptidase
    Candoxatril
     D01070  Candoxatril (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
123122-55-4
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C1z C    26.0603  -15.7598
            2   C1x C    27.1997  -14.9468
            3   C1x C    26.7746  -13.6089
            4   C1x C    25.3711  -13.6009
            5   C1x C    24.9333  -14.9303
            6   O2a O    22.4351  -13.6423
            7   C1b C    23.6436  -14.3482
            8   C1c C    23.6365  -15.7476
            9   C1b C    24.8449  -16.4535
            10  C7a C    22.4209  -16.4413
            11  O7a O    21.2126  -15.7354
            12  O6a O    22.4139  -17.8407
            13  C5a C    27.2688  -16.4657
            14  N1b N    28.4842  -15.7721
            15  O5a O    27.3316  -17.8651
            16  C1y C    29.6926  -16.4779
            17  C1x C    29.6794  -17.8768
            18  C1x C    30.8879  -18.5829
            19  C1y C    32.1033  -17.8892
            20  C1x C    32.1104  -16.4898
            21  C1x C    30.9019  -15.7839
            22  C6a C    33.3117  -18.5951
            23  C8y C    19.9970  -16.4290
            24  C8x C    18.7857  -15.7302
            25  C8x C    18.7716  -18.5291
            26  C8x C    19.9870  -17.8355
            27  C8y C    17.5631  -17.8232
            28  C8y C    17.5760  -16.4172
            29  C1x C    16.2427  -15.9705
            30  C1x C    15.4132  -17.1004
            31  C1x C    16.2220  -18.2455
            32  C1b C    21.2426  -14.3233
            33  C1b C    20.0214  -13.6102
            34  O2a O    18.8175  -14.2970
            35  C1a C    17.6108  -13.5919
            36  O6a O    34.5230  -17.9040
            37  O6a O    33.3042  -20.0199
BOND        40
            1     4   5 1
            2    16  14 1 #Up
            3     6   7 1
            4     5   1 1
            5     8   7 1 #Down
            6     8   9 1
            7    16  17 1
            8    17  18 1
            9    18  19 1
            10   19  20 1
            11   20  21 1
            12   21  16 1
            13    1   2 1
            14   19  22 1 #Up
            15    8  10 1
            16   10  11 1
            17    2   3 1
            18   11  23 1
            19   10  12 2
            20    9   1 1
            21   23  24 2
            22   24  28 1
            23   27  25 1
            24   25  26 2
            25   26  23 1
            26    1  13 1
            27    3   4 1
            28   13  14 1
            29   13  15 2
            30   27  28 2
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  27 1
            35    6  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   22  36 1
            40   22  37 2

» Japanese version   » Back

DBGET integrated database retrieval system