KEGG   DRUG: Remikiren
Entry
D09038                      Drug                                   
Name
Remikiren (INN)
Formula
C33H50N4O6S
Exact mass
630.3451
Mol weight
630.8383
Structure
Simcomp
Class
Cardiovascular agent
 DG01925  Renin-angiotensin system inhibitor
  DG01923  Renin inhibitor
 DG03231  Antihypertensive
  DG01923  Renin inhibitor
Remark
Same as: C07465
ATC code: C09XA01
Efficacy
Antihypertensive, Renin inhibitor
Target
REN [HSA:5972] [KO:K01380]
  Pathway
hsa04614  Renin-angiotensin system
Interaction
Structure map
map07217  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)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01923  Renin inhibitor
    D09038  Remikiren
  DG03231  Antihypertensive
   DG01923  Renin inhibitor
    D09038  Remikiren
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Aspartic peptidases
    REN
     D09038  Remikiren (INN)
Other DBs
CAS: 126222-34-2
PubChem: 96025721
ChEBI: 8803
PDB-CCD: REM[PDBj]
LigandBox: D09038
NIKKAJI: J419.436E
KCF data

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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Ontology (3)   
   KEGG BRITE (3)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (14)   

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