KEGG   DRUG: D08571Help
Entry
D08571                      Drug                                   

Name
Terlipressin acetate (JAN);
Heamopressin (TN)
Formula
C52H74N16O15S2. (C2H4O2)x
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Posterior pituitary hormone, antidiuretic hormone, ADH;
Vasoconstrictor
Remark
ATC code: 
Drug group: 
Comment
Arg-vasopressin [CPD:C13662] derivative
Target
arginine vasopressin receptor 1A (AVPR1A) agonist [HSA:552] [KO:K04226];
arginine vasopressin receptor 1B (AVPR1B) agonist [HSA:553] [KO:K04227];
arginine vasopressin receptor 2 (AVPR2) agonist [HSA:554] [KO:K04228]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Interaction
Drug 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
     H01BA04 Terlipressin
      D08571  Terlipressin acetate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    arginine vasopressin receptor 1A (AVPR1A)
     Terlipressin
      D08571  Terlipressin acetate (JAN)
    arginine vasopressin receptor 1B (AVPR1B)
     Terlipressin
      D08571  Terlipressin acetate (JAN)
    arginine vasopressin receptor 2 (AVPR2)
     Terlipressin
      D08571  Terlipressin acetate (JAN)
BRITE hierarchy
Other DBs
CAS: 
914453-96-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        89
            1   N1y N     5.8800  -18.4100
            2   C1y C     6.3000  -19.6000
            3   C5a C     5.8800  -16.5200
            4   C1x C     4.6200  -18.4100
            5   C1x C     5.2500  -20.4400
            6   C1y C     6.9300  -15.8900
            7   O5a O     4.6900  -15.8900
            8   C1x C     4.2000  -19.6700
            9   N1x N     6.9300  -14.5600
            10  C1x C     8.0500  -16.5200
            11  C5x C     8.0500  -14.0000
            12  S3x S     9.1000  -15.8900
            13  C1y C     8.0500  -12.7400
            14  O5x O     9.1000  -14.5600
            15  S3x S    10.2200  -16.5200
            16  N1x N     6.9300  -12.1100
            17  C1b C     9.1000  -12.1100
            18  C1x C    11.2700  -15.8900
            19  C5x C     6.9300  -10.3600
            20  C5a C    10.2200  -12.7400
            21  C1y C    12.4600  -16.5200
            22  C1y C     8.8900   -9.3100
            23  O5x O     5.8800   -9.7300
            24  N1a N    11.2700  -12.1100
            25  O5a O    10.2200  -14.0000
            26  C5x C    13.5100  -15.8900
            27  N1b N    12.4600  -18.5500
            28  N1x N    10.6400  -10.3600
            29  C1b C     8.8900   -7.7000
            30  N1x N    14.6300  -16.5200
            31  O5x O    13.5100  -14.5600
            32  C5x C    12.4600   -9.3100
            33  C1b C     7.8400   -7.0000
            34  C1y C    15.7500  -15.8900
            35  C1y C    14.7000  -10.3600
            36  O5x O    12.4600   -7.9800
            37  C1b C    16.8700  -16.5200
            38  C5x C    15.7500  -14.5600
            39  C1b C    15.8900   -9.3800
            40  N1x N    14.7000  -13.5800
            41  C8y C    17.9200  -15.8900
            42  O5x O    16.8700  -14.0000
            43  C8y C    17.0800  -10.0100
            44  C8x C    19.0400  -16.4500
            45  C8x C    17.9200  -14.5600
            46  C8x C    17.0800  -11.2700
            47  C8x C    18.1300   -9.3100
            48  C8x C    20.1600  -15.8900
            49  C8x C    19.0400  -14.0000
            50  C8x C    18.1300  -11.9000
            51  C8x C    19.2500  -10.0100
            52  C8y C    20.1600  -14.5600
            53  C8x C    19.2500  -11.2700
            54  O1a O    21.2800  -14.0000
            55  C5a C    13.5800  -19.2500
            56  C1b C    14.7700  -18.5500
            57  N1b N    15.8900  -19.2500
            58  C5a C    17.0800  -18.5500
            59  C1b C    18.2000  -19.2500
            60  N1b N    19.3900  -18.5500
            61  C5a C    20.5100  -19.2500
            62  C1b C    21.6300  -18.5500
            63  N1a N    22.8200  -19.2500
            64  O5a O    20.5100  -20.6500
            65  C5a C     7.5600  -20.0200
            66  O5a O     8.5400  -19.0400
            67  N1b N     7.5600  -21.3500
            68  C1c C     8.7500  -22.0500
            69  C1b C     9.9400  -21.4200
            70  C1b C    11.0600  -22.1200
            71  C1b C    12.3200  -21.4200
            72  C1b C    13.4400  -22.1900
            73  N1a N    14.6300  -21.4900
            74  C5a C     8.7500  -23.3800
            75  O5a O     7.4900  -24.0800
            76  N1b N     9.8700  -24.0800
            77  C1b C    11.0600  -23.4500
            78  C5a C    12.2500  -24.1500
            79  N1a N    13.4400  -23.4500
            80  O5a O    12.2500  -25.4800
            81  O5a O    13.5800  -20.6500
            82  O5a O    17.0800  -17.2200
            83  C5a C     6.5800   -7.6300
            84  N1a N     5.3900   -6.9300
            85  O5a O     6.5800   -9.0300
            86  O6a O    27.9300  -17.8500
            87  C6a C    29.1424  -17.1500
            88  C1a C    30.3549  -17.8500
            89  O6a O    29.1424  -15.7502
BOND        91
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     6   3 1 #Up
            6     3   7 2
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   13  16 1
            16   13  17 1 #Up
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   19  23 2
            23   20  24 1
            24   20  25 2
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   22  29 1 #Down
            29   26  30 1
            30   26  31 2
            31   28  32 1
            32   29  33 1
            33   30  34 1
            34   32  35 1
            35   32  36 2
            36   34  37 1 #Down
            37   34  38 1
            38   35  39 1 #Down
            39   35  40 1
            40   37  41 1
            41   38  42 2
            42   39  43 1
            43   41  44 2
            44   41  45 1
            45   43  46 2
            46   43  47 1
            47   44  48 1
            48   45  49 2
            49   46  50 1
            50   47  51 2
            51   48  52 2
            52   50  53 2
            53   52  54 1
            54    5   8 1
            55   38  40 1
            56   49  52 1
            57   51  53 1
            58   27  55 1
            59   55  56 1
            60   56  57 1
            61   57  58 1
            62   58  59 1
            63   59  60 1
            64   60  61 1
            65   61  62 1
            66   62  63 1
            67   61  64 2
            68    2  65 1 #Down
            69   65  66 2
            70   65  67 1
            71   67  68 1
            72   68  69 1 #Up
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   68  74 1
            78   74  75 2
            79   74  76 1
            80   76  77 1
            81   77  78 1
            82   78  79 1
            83   78  80 2
            84   55  81 2
            85   58  82 2
            86   33  83 1
            87   83  84 1
            88   83  85 2
            89   86  87 1
            90   87  88 1
            91   87  89 2
BRACKET     1    26.4600  -19.3200   26.4600  -14.4900
            1    32.4100  -14.4900   32.4100  -19.3200
            1  x
 ORIGINAL  1   86  87  88  89
 REPEAT    1

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