KEGG   DRUG: Angiotensin II
Entry
D02014                      Drug                                   

Name
Angiotensin II (USAN);
Angiotensin II (human type) (JAN);
Delivert (TN)
Formula
C50H71N13O12
Exact mass
1045.5345
Mol weight
1046.1786
Structure
Simcomp
Sequence
Asp Arg Val Tyr Ile His Pro Phe
  Type
Peptide
Remark
ATC code: C01CX09
Efficacy
Antihypotensive, Vasoconstrictor, Angiotensin II receptor agonist
Comment
Angiotensin analog
Treatment of catecholamine-resistant hypotension (CRH)
Target
AGTR1 [HSA:185] [KO:K04166]
AGTR2 [HSA:186] [KO:K04167]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04614  Renin-angiotensin system
hsa04924  Renin secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CX Other cardiac stimulants
     C01CX09 Angiotensin II
      D02014  Angiotensin II (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Angiotensin
    AGTR1
     D02014  Angiotensin II (USAN)
    AGTR2
     D02014  Angiotensin II (USAN)
Other DBs
CAS: 4474-91-3
PubChem: 7849076
ChEMBL: CHEMBL408403
LigandBox: D02014
NIKKAJI: J38.547F
LinkDB
KCF data

ATOM        75
            1   C1c C    12.7036  -15.5584
            2   N1b N    11.5241  -14.8774
            3   C5a C    10.3446  -15.5584
            4   C1c C     9.1630  -14.8762
            5   O5a O    10.3446  -16.9235
            6   C1b C     7.9792  -15.5597
            7   N1a N     9.1630  -13.5176
            8   C6a C     6.8000  -14.8789
            9   O6a O     5.6186  -15.5610
            10  O6a O     6.8001  -13.5176
            11  C1b C    12.7037  -16.9235
            12  C1b C    13.8823  -17.6039
            13  C1b C    13.8821  -18.9681
            14  N1b N    15.0611  -19.6507
            15  C2c C    15.0595  -21.0131
            16  N1a N    16.2385  -21.6957
            17  N2a N    13.8831  -21.6904
            18  C1y C    30.4690  -15.5450
            19  N1y N    29.1255  -15.5450
            20  C1x C    28.7105  -16.8227
            21  C1x C    29.7973  -17.6124
            22  C1x C    30.8843  -16.8227
            23  C5a C    27.9621  -14.8733
            24  C1c C    26.7987  -15.5450
            25  N1b N    25.6353  -14.8733
            26  C5a C    24.4718  -15.5450
            27  C1c C    23.3083  -14.8733
            28  N1b N    22.1450  -15.5450
            29  C5a C    20.9814  -14.8733
            30  O5a O    27.9621  -13.5299
            31  C1b C    26.7987  -18.9480
            32  C8y C    27.9657  -19.6217
            33  C8x C    28.1064  -20.9602
            34  N5x N    29.4227  -21.2401
            35  C8x C    30.0957  -20.0746
            36  N4x N    29.1951  -19.0745
            37  O5a O    24.4718  -16.8919
            38  C1c C    23.3083  -12.8491
            39  C1b C    24.4734  -12.1764
            40  C1a C    22.1458  -12.1779
            41  C1a C    24.4734  -10.8331
            42  C1c C    19.7856  -15.5639
            43  O5a O    20.9813  -13.5155
            44  N1b N    18.6005  -14.8799
            45  C5a C    17.4216  -15.5584
            46  C1c C    16.2421  -14.8774
            47  N1b N    15.0627  -15.5584
            48  C5a C    13.8832  -14.8774
            49  O5a O    17.4207  -16.9203
            50  C1c C    16.2421  -12.9687
            51  C1a C    15.0614  -12.2869
            52  C1a C    17.4203  -12.2885
            53  O5a O    13.8832  -13.5154
            54  C1b C    19.7857  -17.2661
            55  C8y C    20.9671  -17.9480
            56  C8x C    20.9672  -19.3097
            57  C8x C    22.1471  -19.9908
            58  C8y C    23.3270  -19.3095
            59  C8x C    23.3268  -17.9478
            60  C8x C    22.1468  -17.2667
            61  O1a O    24.5242  -20.0008
            62  C5a C    31.6325  -14.8733
            63  N1b N    32.7960  -15.5450
            64  C1c C    33.9594  -14.8733
            65  C1b C    35.1229  -15.5450
            66  O5a O    31.6325  -13.5299
            67  C8y C    36.2890  -14.8718
            68  C8x C    37.4544  -15.5447
            69  C8x C    38.6179  -14.8730
            70  C8x C    38.6179  -13.5295
            71  C8x C    37.4525  -12.8566
            72  C8x C    36.2890  -13.5284
            73  C6a C    33.9594  -13.5299
            74  O6a O    35.1249  -12.8570
            75  O6a O    32.7979  -12.8593
BOND        78
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     4   6 1
            6     4   7 1 #Down
            7     6   8 1
            8     8   9 1
            9     8  10 2
            10    1  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   18  22 1
            22   19  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1 #Up
            28   28  29 1
            29   23  30 2
            30   24  31 1 #Down
            31   31  32 1
            32   32  33 2
            33   33  34 1
            34   34  35 2
            35   35  36 1
            36   32  36 1
            37   26  37 2
            38   27  38 1
            39   38  39 1
            40   38  40 1 #Up
            41   39  41 1
            42   29  42 1
            43   29  43 2
            44   42  44 1 #Down
            45   44  45 1
            46   45  46 1
            47   46  47 1 #Up
            48   47  48 1
            49   45  49 2
            50   46  50 1
            51   50  51 1
            52   50  52 1
            53   48  53 2
            54   42  54 1
            55   54  55 1
            56   55  56 2
            57   56  57 1
            58   57  58 2
            59   58  59 1
            60   59  60 2
            61   55  60 1
            62   58  61 1
            63    1  48 1 #Down
            64   62  63 1
            65   63  64 1
            66   64  65 1
            67   62  66 2
            68   65  67 1
            69   67  68 2
            70   68  69 1
            71   69  70 2
            72   70  71 1
            73   71  72 2
            74   67  72 1
            75   73  74 1
            76   73  75 2
            77   64  73 1 #Down
            78   18  62 1 #Down

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