KEGG   DRUG: D09038Help
Entry
D09038                      Drug                                   

Name
Remikiren (INN)
Formula
C33H50N4O6S
Exact mass
630.3451
Mol weight
630.8383
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
ATC code: 
Target
renin inhibitor [HSA:5972] [KO:K01380]
  Pathway
hsa04614  Renin-angiotensin system  
 
Interaction
Drug interaction
Structure map
Renin-angiotensin system inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09X OTHER AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
    C09XA Renin-inhibitors
     C09XA01 Remikiren
      D09038  Remikiren (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   renin
    Remikiren
     D09038  Remikiren (INN)
BRITE hierarchy
Other DBs
CAS: 
126222-34-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        44
            1   C1c C    22.1684  -16.5014
            2   N1b N    20.9094  -17.2009
            3   C1b C    22.1684  -14.5429
            4   C1c C    23.3574  -17.2009
            5   C5a C    19.7204  -16.5014
            6   C1y C    23.0777  -13.7036
            7   C1c C    24.5465  -16.5014
            8   O1a O    23.3574  -18.3900
            9   C1c C    18.5314  -17.2009
            10  O5a O    19.7204  -15.0326
            11  C1x C    24.2667  -14.4030
            12  C1x C    23.0777  -12.3047
            13  C1y C    25.8055  -17.2009
            14  O1a O    24.6165  -15.3123
            15  C1b C    18.5314  -18.5298
            16  N1b N    17.2722  -16.5014
            17  C1x C    25.5257  -13.7036
            18  C1x C    24.3367  -11.6053
            19  C1x C    27.2044  -17.2009
            20  C1x C    26.5049  -18.3900
            21  C8y C    19.5768  -19.3734
            22  C5a C    16.0832  -17.2009
            23  C1x C    25.5257  -12.3047
            24  C1c C    14.8242  -16.5014
            25  O5a O    16.0832  -18.5998
            26  C1b C    14.8242  -15.0326
            27  C1b C    13.6352  -17.2009
            28  C8y C    16.0832  -14.3331
            29  S4a S    12.4462  -16.5014
            30  C8x C    17.2722  -15.0326
            31  C8x C    16.0832  -12.9343
            32  C1d C    11.1871  -17.2009
            33  O3c O    12.4462  -15.1025
            34  O3c O    12.4462  -17.9003
            35  C8x C    18.5314  -14.3331
            36  C8x C    17.2722  -12.2348
            37  C1a C     9.9981  -16.5014
            38  C1a C    11.1871  -18.5998
            39  C1a C    11.1871  -15.8019
            40  C8x C    18.5314  -12.9343
            41  N4x N    19.5654  -20.7896
            42  C8x C    20.9080  -21.2371
            43  N5x N    21.7485  -20.0984
            44  C8x C    20.9253  -18.9472
BOND        47
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    9  15 1 #Down
            15    9  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 1
            19   13  20 1
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   22  24 1
            24   22  25 2
            25   24  26 1 #Up
            26   24  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 2
            30   28  31 1
            31   29  32 1
            32   29  33 2
            33   29  34 2
            34   30  35 1
            35   31  36 2
            36   32  37 1
            37   32  38 1
            38   32  39 1
            39   35  40 2
            40   18  23 1
            41   19  20 1
            42   36  40 1
            43   21  41 1
            44   41  42 1
            45   42  43 2
            46   43  44 1
            47   21  44 2

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