KEGG   DRUG: D03743Help
Entry
D03743                      Drug                                   

Name
Terlakiren (USAN/INN)
Formula
C31H48N4O7S
Exact mass
620.3244
Mol weight
620.8004
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Target
renin inhibitor [HSA:5972] [KO:K01380]
  Pathway
hsa04614  Renin-angiotensin system  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   renin [HSA:5972] [KO:K01380]
    Terlakiren
     D03743  Terlakiren (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
119625-78-4
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        43
            1   C1c C    34.0200  -19.6700
            2   C1b C    34.0200  -21.0000
            3   C5a C    35.2800  -18.9700
            4   N1b N    32.8300  -18.9700
            5   N1b N    36.4700  -19.6700
            6   O5a O    35.2800  -17.5700
            7   C5a C    31.6400  -19.6700
            8   C1c C    37.6600  -18.9700
            9   C1c C    30.3800  -18.9700
            10  O5a O    31.6400  -21.0700
            11  C1b C    37.6600  -17.0800
            12  C1c C    38.9200  -19.6700
            13  C1b C    30.3800  -17.5700
            14  N1b N    29.1900  -19.6700
            15  C1y C    38.6400  -16.2400
            16  C7a C    40.1100  -18.9700
            17  O1a O    38.8500  -20.8600
            18  C8y C    31.6400  -16.8700
            19  C5a C    27.9300  -18.9700
            20  C1x C    39.8300  -16.9400
            21  C1x C    38.6400  -14.8400
            22  O7a O    41.3000  -19.6700
            23  C8x C    32.8300  -17.5700
            24  C8x C    31.6400  -15.4700
            25  O5a O    27.9300  -17.5700
            26  C1x C    41.0200  -16.2400
            27  C1x C    39.8300  -14.1400
            28  C1c C    42.5600  -18.9700
            29  C8x C    34.0200  -16.8700
            30  C8x C    32.8300  -14.7700
            31  C1x C    41.0200  -14.8400
            32  C1a C    43.8200  -19.6700
            33  C1a C    42.5600  -17.5700
            34  C8x C    34.0200  -15.4700
            35  O6a O    40.1100  -17.5700
            36  S2a S    35.2100  -21.7000
            37  C1a C    35.2100  -23.1000
            38  N1y N    26.7400  -19.6700
            39  C1x C    25.4800  -19.0400
            40  C1x C    24.2900  -19.7400
            41  O2x O    24.2900  -21.1400
            42  C1x C    25.5500  -21.8400
            43  C1x C    26.7400  -21.0700
BOND        45
            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   14  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   18  23 2
            23   18  24 1
            24   19  25 2
            25   20  26 1
            26   21  27 1
            27   22  28 1
            28   23  29 1
            29   24  30 2
            30   26  31 1
            31   28  32 1
            32   28  33 1
            33   29  34 2
            34   27  31 1
            35   30  34 1
            36   16  35 2
            37    2  36 1
            38   36  37 1
            39   19  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   42  43 1
            45   38  43 1

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