KEGG   DRUG: Desmopressin
Entry
D00291                      Drug                                   
Name
Desmopressin (INN)
Formula
C46H64N14O12S2
Exact mass
1068.4270
Mol weight
1069.22
Structure
Simcomp
Class
Cardiovascular agent
 DG01952  Vasopressin analog
Remark
Same as: C06944
ATC code: H01BA02
Chemical structure group: DG00497
Product (DG00497): D02235<JP/US>
Efficacy
Antidiuretic, Arginine vasopressin receptor agonist
Comment
Arg-vasopressin [DR:D02983] derivative
Target
AVPR2 [HSA:554] [KO:K04228]
F8 [HSA:2157] [KO:K03899]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
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
     H01BA02 Desmopressin
      D00291  Desmopressin (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01952  Vasopressin analog
   DG00497  Desmopressin
    D00291  Desmopressin
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    AVPR2
     D00291  Desmopressin (INN)
 Not elsewhere classified
  Organismal systems
   Complement and coagulation
    F8
     D00291  Desmopressin (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01952  Vasopressin analog
   DG00497  Desmopressin
Other DBs
CAS: 16679-58-6
PubChem: 7847357
ChEBI: 4450
LigandBox: D00291
NIKKAJI: J10.349G
LinkDB
KCF data

ATOM        74
            1   N1y N    17.3970  -17.6248
            2   C1y C    17.8214  -18.8689
            3   C5a C    17.3970  -16.3108
            4   C1x C    16.0714  -17.6480
            5   C5a C    18.9611  -19.5260
            6   C1x C    16.7632  -19.6654
            7   C1y C    18.5367  -15.6480
            8   O5a O    16.2574  -15.6480
            9   C1x C    15.6877  -18.9097
            10  N1b N    20.1006  -18.8689
            11  O5a O    18.9611  -20.8516
            12  N1x N    18.5367  -14.3281
            13  C1x C    19.6705  -16.3108
            14  C1c C    21.2460  -19.5260
            15  C5x C    19.6821  -13.6712
            16  S3x S    20.8157  -15.6480
            17  C5a C    21.2460  -20.8516
            18  C1b C    22.3855  -18.8689
            19  C1y C    19.6821  -12.3514
            20  O5x O    20.8157  -14.3281
            21  S3x S    21.9552  -16.3108
            22  N1b N    22.3855  -21.5085
            23  O5a O    20.1006  -21.5085
            24  C1b C    23.5251  -19.5260
            25  N1x N    18.5367  -11.6942
            26  C1b C    20.8157  -11.6942
            27  C1x C    23.0948  -15.6480
            28  C1b C    23.5251  -20.8516
            29  C1b C    24.6704  -18.8689
            30  C5x C    18.5367  -10.3803
            31  C5a C    21.9552  -12.3514
            32  C1x C    24.2401  -16.3108
            33  C1y C    20.5483   -9.6536
            34  O5x O    17.3970   -9.7175
            35  N1a N    23.0948  -11.6942
            36  O5a O    21.9552  -13.6712
            37  C5x C    25.3798  -15.6480
            38  N1x N    22.4087  -10.3862
            39  C1b C    20.5657   -7.9370
            40  N1x N    26.5192  -16.3108
            41  O5x O    25.3798  -14.3281
            42  C5x C    24.2809   -9.6536
            43  C1b C    19.4378   -7.2542
            44  C1y C    27.6648  -15.6480
            45  C1y C    26.5425  -10.3862
            46  O5x O    24.2926   -8.3397
            47  C5a C    18.2867   -7.9016
            48  C1b C    28.8042  -16.3108
            49  C5x C    27.6648  -13.9081
            50  C1b C    27.8158   -9.7234
            51  N1x N    26.5192  -13.2512
            52  N1a N    17.1529   -7.2272
            53  O5a O    18.2691   -9.2176
            54  C8y C    29.9438  -15.6480
            55  O5x O    28.8042  -13.2512
            56  C8y C    29.0136  -10.3164
            57  C8x C    31.0777  -16.3049
            58  C8x C    29.9379  -14.3224
            59  C8x C    29.0136  -11.6362
            60  C8x C    30.1591   -9.6594
            61  C8x C    32.2230  -15.6480
            62  C8x C    31.0777  -13.6712
            63  C8x C    30.1591  -12.2932
            64  C8x C    31.2928  -10.3164
            65  C8y C    32.2230  -14.3224
            66  C8x C    31.2928  -11.6362
            67  O1a O    33.3626  -13.6712
            68  C5a C    24.7323  -21.5497
            69  N1a N    25.9527  -20.8462
            70  O5a O    24.7314  -22.9458
            71  N1b N    25.8596  -19.5598
            72  C2c C    27.0791  -18.8602
            73  N1a N    28.2844  -19.5604
            74  N2a N    27.0830  -17.4551
BOND        77
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            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
            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
            26   21  27 1
            27   22  28 1
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   27  32 1
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   31  36 2
            36   32  37 1
            37   33  38 1
            38   33  39 1
            39   37  40 1
            40   37  41 2
            41   38  42 1
            42   39  43 1
            43   40  44 1
            44   42  45 1
            45   42  46 2
            46   43  47 1
            47   44  48 1
            48   44  49 1
            49   45  50 1
            50   45  51 1
            51   47  52 1
            52   47  53 2
            53   48  54 1
            54   49  55 2
            55   50  56 1
            56   54  57 2
            57   54  58 1
            58   56  59 2
            59   56  60 1
            60   57  61 1
            61   58  62 2
            62   59  63 1
            63   60  64 2
            64   61  65 2
            65   63  66 2
            66   65  67 1
            67    6   9 1
            68   49  51 1
            69   62  65 1
            70   64  66 1
            71   28  68 1
            72   68  69 1
            73   68  70 2
            74   29  71 1
            75   71  72 1
            76   72  73 1
            77   72  74 2

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