KEGG   COMPOUND: C00306
Entry
C00306                      Compound                               

Name
Bradykinin
Formula
C50H73N15O11
Exact mass
1059.5614
Mol weight
1060.2085
Structure
Sequence
Arg Pro Pro Gly Phe Ser Pro Phe Arg
  Organism
Homo sapiens [HSA:3827]
  Type
Peptide
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Peptide hormones
   Bradykinin
    C00306  Bradykinin
Bioactive peptides [BR:br08005]
 Cardiovascular peptides
  Bradykinin
   C00306  Bradykinin
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Bradykinin
    bradykinin B2 receptor
     C00306  Bradykinin
Other DBs
CAS: 58-82-2
PubChem: 3600
ChEMBL: CHEMBL406291
3DMET: B01212
NIKKAJI: J10.684D
KCF data

ATOM        76
            1   N1a N    16.3874  -25.1016
            2   C1c C    17.5802  -24.4000
            3   C5a C    18.8431  -25.1016
            4   N1y N    20.0359  -24.4000
            5   C1b C    17.5629  -22.9968
            6   C1b C    18.7822  -22.2726
            7   C1b C    18.7649  -20.8918
            8   N1b N    19.9773  -20.1716
            9   C2c C    19.9599  -18.7869
            10  N2a N    18.7404  -18.1031
            11  N1a N    21.1706  -18.0674
            12  O5a O    18.8604  -26.5048
            13  C1y C    21.4392  -24.4000
            14  C1x C    21.8728  -23.0654
            15  C1x C    20.7375  -22.2406
            16  C1x C    19.6023  -23.0654
            17  C5a C    22.6544  -25.1016
            18  N1y N    23.8698  -24.4000
            19  C1y C    25.2730  -24.4000
            20  C1x C    25.7067  -23.0654
            21  C1x C    24.5714  -22.2406
            22  C1x C    23.4360  -23.0654
            23  C5a C    26.5134  -25.1016
            24  N1b N    27.7288  -24.4000
            25  C1b C    28.9440  -25.1016
            26  C5a C    30.1593  -24.4000
            27  N1b N    31.3746  -25.1016
            28  C1c C    32.5898  -24.4000
            29  C5a C    33.8051  -25.1016
            30  N1b N    35.0204  -24.4000
            31  C1c C    36.2357  -25.1016
            32  O5a O    22.6544  -26.5047
            33  O5a O    26.5197  -26.5046
            34  O5a O    30.1593  -22.9968
            35  O5a O    33.8051  -26.3645
            36  C1b C    32.5898  -22.9967
            37  C8y C    33.8092  -22.2928
            38  C8x C    35.0095  -22.9859
            39  C8x C    36.2248  -22.2844
            40  C8x C    36.2250  -20.8811
            41  C8x C    35.0246  -20.1880
            42  C8x C    33.8093  -20.8895
            43  C5a C    37.4570  -24.3965
            44  C1b C    36.2357  -26.5049
            45  N1y N    38.6583  -25.0902
            46  O5a O    37.4570  -22.9968
            47  C1x C    38.2377  -26.4300
            48  C1x C    39.3807  -27.2443
            49  C1x C    40.5081  -26.4088
            50  C1y C    40.0620  -25.0783
            51  O1a O    35.0265  -27.2031
            52  C5a C    41.2479  -24.4000
            53  N1b N    42.4632  -25.1016
            54  C1c C    43.6784  -24.4000
            55  C5a C    44.8937  -25.1016
            56  N1b N    46.1090  -24.4000
            57  C1c C    47.3243  -25.1016
            58  C6a C    48.5395  -24.4000
            59  O6a O    49.7548  -25.1016
            60  O5a O    41.2508  -22.9969
            61  O5a O    44.8937  -26.5048
            62  O6a O    48.5395  -22.9968
            63  C1b C    47.3243  -26.5049
            64  C1b C    48.5436  -27.2089
            65  C1b C    48.5437  -28.6096
            66  N1b N    49.7430  -29.3022
            67  C2c C    49.7432  -30.7145
            68  N1a N    50.9375  -31.4042
            69  N2a N    48.5070  -31.4285
            70  C1b C    43.6784  -22.9967
            71  C8y C    44.8958  -22.2939
            72  C8x C    46.0951  -22.9865
            73  C8x C    47.3104  -22.2850
            74  C8x C    47.3105  -20.8817
            75  C8x C    46.1113  -20.1891
            76  C8x C    44.8959  -20.8906
BOND        80
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 1 #Up
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10    9  11 1
            11    3  12 2
            12    4  13 1
            13   13  14 1 #Up
            14   14  15 1
            15   15  16 1
            16    4  16 1
            17   13  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1 #Up
            21   20  21 1
            22   21  22 1
            23   18  22 1
            24   19  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   17  32 2
            34   23  33 2
            35   26  34 2
            36   29  35 2
            37   28  36 1 #Up
            38   36  37 1
            39   37  38 2
            40   38  39 1
            41   39  40 2
            42   40  41 1
            43   41  42 2
            44   37  42 1
            45   31  43 1
            46   31  44 1 #Down
            47   43  45 1
            48   43  46 2
            49   45  47 1
            50   47  48 1
            51   48  49 1
            52   50  49 1 #Down
            53   45  50 1
            54   44  51 1
            55   50  52 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   55  56 1
            60   56  57 1
            61   57  58 1
            62   58  59 1
            63   52  60 2
            64   55  61 2
            65   58  62 2
            66   57  63 1 #Down
            67   63  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   67  69 2
            73   54  70 1 #Up
            74   70  71 1
            75   71  72 2
            76   72  73 1
            77   73  74 2
            78   74  75 1
            79   75  76 2
            80   71  76 1

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