KEGG   DRUG: Ornipressin
Entry
D07227                      Drug                                   
Name
Ornipressin (INN);
POR 8 Sandoz (TN)
Formula
C45H63N13O12S2
Exact mass
1041.4161
Mol weight
1042.1916
Structure
Simcomp
Class
Cardiovascular agent
 DG01952  Vasopressin analog
Remark
ATC code: H01BA05
Efficacy
Vasoconstrictor, Arginine vasopressin receptor agonist
Target
AVPR1 [HSA:552 553] [KO:K04226 K04227]
AVPR2 [HSA:554] [KO:K04228]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04962  Vasopressin-regulated water reabsorption
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01B POSTERIOR PITUITARY LOBE HORMONES
    H01BA Vasopressin and analogues
     H01BA05 Ornipressin
      D07227  Ornipressin (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01952  Vasopressin analog
   D07227  Ornipressin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    AVPR1
     D07227  Ornipressin (INN)
    AVPR2
     D07227  Ornipressin (INN)
Other DBs
CAS: 3397-23-7
PubChem: 51091565
LigandBox: D07227
NIKKAJI: J9.858B
KCF data

ATOM        72
            1   N1y N    19.8125  -21.0028
            2   C1y C    20.2326  -22.2629
            3   C5a C    19.8125  -19.6725
            4   C1x C    18.4824  -21.0028
            5   C5a C    21.3528  -22.8930
            6   C1x C    19.1125  -23.0329
            7   C1y C    20.9326  -19.0424
            8   O5a O    18.6224  -19.0424
            9   C1x C    18.0623  -22.2629
            10  N1b N    22.4729  -22.2629
            11  O5a O    21.3528  -24.2231
            12  N1x N    20.9326  -17.7123
            13  C1x C    22.0528  -19.6725
            14  C1c C    23.6630  -22.8930
            15  C5x C    22.0528  -17.0122
            16  S3x S    23.1729  -19.0424
            17  C5a C    23.6630  -24.2231
            18  C1b C    24.7831  -22.2629
            19  C1y C    22.0528  -15.6820
            20  O5x O    23.1729  -17.7123
            21  S3x S    24.3632  -19.6725
            22  N1b N    24.7831  -24.8532
            23  O5a O    22.4729  -24.8532
            24  C1b C    25.9033  -22.8930
            25  N1x N    20.9326  -15.0520
            26  C1b C    23.1729  -15.0520
            27  C1x C    25.4833  -19.0424
            28  C1b C    25.9033  -24.2231
            29  C1b C    27.0234  -22.2629
            30  C5x C    20.9326  -13.7218
            31  C1y C    26.6035  -19.6725
            32  C1y C    22.9630  -13.0217
            33  O5x O    19.8125  -13.0917
            34  C5x C    27.7935  -19.0424
            35  N1x N    24.7831  -13.7218
            36  C1b C    22.9630  -11.2715
            37  N1x N    28.9137  -19.6725
            38  O5x O    27.7935  -17.7123
            39  C5x C    26.6734  -13.0217
            40  C1b C    21.8429  -10.6414
            41  C1y C    30.0338  -19.0424
            42  C1y C    28.9137  -13.7218
            43  O5x O    26.6734  -11.6916
            44  C5a C    20.6527  -11.2715
            45  C1b C    31.1540  -19.6725
            46  C5x C    30.0338  -17.4322
            47  C1b C    30.1739  -13.0917
            48  N1x N    28.9137  -16.7321
            49  N1a N    19.5325  -10.5714
            50  O5a O    20.6527  -12.6016
            51  C8y C    32.3441  -19.0424
            52  O5x O    31.1540  -16.7321
            53  C8y C    31.3640  -13.6518
            54  C8x C    33.4643  -19.6725
            55  C8x C    32.3441  -17.7123
            56  C8x C    31.3640  -14.9819
            57  C8x C    32.5541  -13.0217
            58  C8x C    34.5845  -19.0424
            59  C8x C    33.4643  -17.0122
            60  C8x C    32.5541  -15.6820
            61  C8x C    33.6743  -13.6518
            62  C8y C    34.5845  -17.7123
            63  C8x C    33.6743  -14.9819
            64  O1a O    35.7746  -17.0122
            65  C5a C    27.0934  -24.9232
            66  N1a N    28.3537  -24.2231
            67  O5a O    27.0934  -26.3234
            68  N1a N    28.2137  -22.8930
            69  N1a N    26.6035  -21.0727
            70  C5a C    24.3784  -15.7421
            71  N1a N    25.5512  -15.0592
            72  O5a O    24.3841  -17.1544
BOND        75
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Down
            5     2   6 1
            6     7   3 1 #Up
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12    7  13 1
            13   10  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1 #Up
            17   14  18 1
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   17  22 1
            22   17  23 2
            23   18  24 1
            24   19  25 1
            25   19  26 1 #Up
            26   21  27 1
            27   22  28 1
            28   24  29 1
            29   25  30 1
            30   27  31 1
            31   30  32 1
            32   30  33 2
            33   31  34 1
            34   32  35 1
            35   32  36 1 #Down
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39   36  40 1
            40   37  41 1
            41   39  42 1
            42   39  43 2
            43   40  44 1
            44   41  45 1 #Down
            45   41  46 1
            46   42  47 1 #Up
            47   42  48 1
            48   44  49 1
            49   44  50 2
            50   45  51 1
            51   46  52 2
            52   47  53 1
            53   51  54 2
            54   51  55 1
            55   53  56 2
            56   53  57 1
            57   54  58 1
            58   55  59 2
            59   56  60 1
            60   57  61 2
            61   58  62 2
            62   60  63 2
            63   62  64 1
            64    6   9 1
            65   46  48 1
            66   59  62 1
            67   61  63 1
            68   28  65 1
            69   65  66 1
            70   65  67 2
            71   29  68 1
            72   31  69 1 #Up
            73   26  70 1
            74   70  71 1
            75   70  72 2

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