KEGG   DRUG: D03738Help
Entry
D03738                      Drug                                   

Name
Enalkiren (USAN/INN)
Formula
C35H56N6O6
Exact mass
656.4261
Mol weight
656.8557
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Remark
Same as: 
Target
renin inhibitor [HSA:5972] [KO:K01380]
  Pathway
hsa04614  Renin-angiotensin system  
 
Interaction
Drug interaction
Structure map
Renin-angiotensin system inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   renin
    Enalkiren
     D03738  Enalkiren (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
113082-98-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        47
            1   C1c C    30.1280  -16.6063
            2   C1b C    30.1280  -17.9374
            3   C5a C    31.3890  -15.9057
            4   N1b N    28.9370  -15.9057
            5   C8y C    31.1788  -18.7781
            6   N1b N    32.5800  -16.6063
            7   O5a O    31.3890  -14.5046
            8   C5a C    27.7460  -16.6063
            9   C8x C    31.1390  -20.1892
            10  N5x N    32.5674  -18.3930
            11  C1c C    33.7710  -15.9057
            12  C1c C    26.4850  -15.9057
            13  O5a O    27.7460  -18.0074
            14  N4x N    32.4850  -20.7130
            15  C8x C    33.3386  -19.5502
            16  C1b C    33.7710  -13.8742
            17  C1c C    35.0320  -16.6063
            18  C1b C    26.4850  -14.5046
            19  N1b N    25.2940  -16.6063
            20  C1y C    34.7518  -13.0335
            21  C1c C    36.2230  -15.9057
            22  O1a O    35.0319  -17.7973
            23  C8y C    27.7460  -13.8040
            24  C5a C    24.0330  -15.9057
            25  C1x C    35.9427  -13.7340
            26  C1x C    34.7518  -11.6323
            27  C1b C    37.4140  -16.6063
            28  C8x C    28.9370  -14.5046
            29  C8x C    27.7460  -12.4028
            30  C1b C    22.8420  -16.6063
            31  O5a O    24.0330  -14.5046
            32  C1x C    37.1337  -13.0335
            33  C1x C    35.9427  -10.9317
            34  C1c C    38.6750  -15.9057
            35  C8x C    30.1280  -13.8040
            36  C8x C    28.9370  -11.7023
            37  C1d C    21.6510  -15.9057
            38  C1x C    37.1337  -11.6323
            39  C1a C    39.8660  -16.6063
            40  C1a C    38.6750  -14.5046
            41  C8y C    30.1280  -12.4028
            42  O2a O    31.3890  -11.7023
            43  C1a C    32.5687  -12.3965
            44  O1a O    36.2233  -14.4904
            45  N1a N    20.4386  -15.2057
            46  C1a C    22.3574  -14.6938
            47  C1a C    20.9477  -17.1125
BOND        49
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   11  16 1 #Up
            16   11  17 1
            17   12  18 1 #Up
            18   12  19 1
            19   16  20 1
            20   17  21 1
            21   17  22 1 #Down
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   20  26 1
            26   21  27 1
            27   23  28 2
            28   23  29 1
            29   24  30 1
            30   24  31 2
            31   25  32 1
            32   26  33 1
            33   27  34 1
            34   28  35 1
            35   29  36 2
            36   30  37 1
            37   32  38 1
            38   34  39 1
            39   34  40 1
            40   35  41 2
            41   41  42 1
            42   14  15 1
            43   33  38 1
            44   36  41 1
            45   42  43 1
            46   21  44 1 #Up
            47   37  45 1
            48   37  46 1
            49   37  47 1

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