KEGG   DRUG: D04126Help
Entry
D04126                      Drug                                   

Name
Saralasin acetate (USAN);
Sarenin (TN)
Formula
C42H65N13O10. (C2H4O2)x. xH2O
Structure
Mol fileKCF fileDB searchJmolKegDraw
Sequence
CH3-Gly Arg Val Tyr Val His Pro Ala
  Type
Peptide
Activity
Antihypertensive
Target
angiotensin II receptor type 1 (AT1) antagonist [HSA:185] [KO:K04166];
angiotensin II receptor type 2 (AT2) antagonist [HSA:186] [KO:K04167]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04614  Renin-angiotensin system  
 
Interaction
Drug interaction
Structure map
Angiotensin receptor and endothelin receptor antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Angiotensin
    angiotensin II stimulates angiotensin subtype 1 (AT1) receptor
     Saralasin
      D04126  Saralasin acetate (USAN)
    angiotensin II stimulates angiotensin sybtype 2 (AT2) receptor
     Saralasin
      D04126  Saralasin acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 
39698-78-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        70
            1   C1b C    26.0027  -16.1354
            2   C1c C    26.0027  -14.7326
            3   C5a C    24.8104  -14.0312
            4   N1b N    27.1951  -14.0312
            5   O5a O    23.6180  -14.7326
            6   N1y N    24.8104  -12.6284
            7   C1y C    23.6881  -11.7867
            8   C1x C    24.1089  -10.4540
            9   C1x C    25.5118  -10.4540
            10  C1x C    25.9326  -11.7867
            11  C5a C    22.4957  -12.4881
            12  N1b N    21.2332  -11.7867
            13  C1c C    20.0408  -12.4881
            14  C6a C    18.8484  -11.7867
            15  O6a O    17.5859  -12.4881
            16  O5a O    22.4957  -13.8909
            17  O6a O    18.8484  -10.3839
            18  C1a C    20.0408  -13.8909
            19  C5a C    28.3875  -14.7326
            20  C1c C    29.6500  -14.0312
            21  N1b N    30.8424  -14.7326
            22  C5a C    32.0348  -14.0312
            23  C1c C    33.2974  -14.7326
            24  N1b N    34.4897  -14.0312
            25  C5a C    35.6821  -14.7326
            26  C1c C    36.9447  -14.0312
            27  N1b N    38.1371  -14.7326
            28  C5a C    39.3294  -14.0312
            29  C1c C    40.5920  -14.7326
            30  N1b N    41.7844  -14.0312
            31  C5a C    42.9767  -14.7326
            32  C1b C    44.1691  -14.0312
            33  N1b N    45.4317  -14.7326
            34  C1a C    46.6241  -14.0312
            35  C8y C    24.8805  -16.9771
            36  N4x N    24.8805  -18.3799
            37  C8x C    23.5478  -18.8008
            38  N5x N    22.7061  -17.6785
            39  C8x C    23.5478  -16.5563
            40  O5a O    28.3875  -16.1354
            41  C1c C    29.6500  -12.6284
            42  C1a C    30.8424  -11.9270
            43  C1a C    28.4577  -11.9270
            44  O5a O    32.0348  -12.6284
            45  C1b C    33.2974  -16.1354
            46  C8y C    32.1050  -16.8368
            47  C8x C    32.1050  -18.2396
            48  C8x C    30.8424  -18.9410
            49  C8y C    29.6500  -18.2396
            50  C8x C    29.6500  -16.8368
            51  C8x C    30.8424  -16.1354
            52  O1a O    28.4577  -18.9410
            53  O5a O    35.6821  -16.1354
            54  C1c C    36.9447  -12.6284
            55  C1a C    38.1371  -11.9270
            56  C1a C    35.7523  -11.9270
            57  O5a O    39.3294  -12.6284
            58  C1b C    40.5920  -16.1354
            59  C1b C    39.3996  -16.8368
            60  C1b C    39.3996  -18.2396
            61  N1b N    38.2072  -18.9410
            62  O5a O    42.9767  -16.1354
            63  C2c C    36.9895  -18.2445
            64  N2a N    36.9895  -16.8417
            65  N1a N    35.7973  -18.9363
            66  O6a O    44.0305  -17.6136
            67  C6a C    44.0305  -19.0164
            68  C1a C    42.8157  -19.7178
            69  O6a O    45.2454  -19.7178
            70  O0  O    49.9110  -18.6773
BOND        70
            1     1   2 1
            2     2   3 1
            3     2   4 1 #Up
            4     3   5 2
            5     3   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    6  10 1
            11    7  11 1 #Down
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  16 2
            17   14  17 2
            18   13  18 1 #Up
            19    4  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1 #Up
            25   24  25 1
            26   25  26 1
            27   26  27 1 #Down
            28   27  28 1
            29   28  29 1
            30   29  30 1 #Up
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35    1  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 2
            39   38  39 1
            40   35  39 2
            41   19  40 2
            42   20  41 1 #Down
            43   41  42 1
            44   41  43 1
            45   22  44 2
            46   23  45 1
            47   45  46 1
            48   46  47 2
            49   47  48 1
            50   48  49 2
            51   49  50 1
            52   50  51 2
            53   46  51 1
            54   49  52 1
            55   25  53 2
            56   26  54 1
            57   54  55 1
            58   54  56 1
            59   28  57 2
            60   29  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1
            64   31  62 2
            65   61  63 1
            66   63  64 2
            67   63  65 1
            68   66  67 2
            69   67  68 1
            70   67  69 1
BRACKET     1    41.0900  -20.5800   41.0900  -16.9400
            1    46.4100  -16.9400   46.4100  -20.5800
            1  x
 ORIGINAL  1   66  67  68  69
 REPEAT    1
            2    47.8800  -19.5300   47.8800  -17.6400
            2    50.4700  -17.6400   50.4700  -19.5300
            2  x
 ORIGINAL  2   70
 REPEAT    2

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