KEGG   DRUG: D10147Help
Entry
D10147                      Drug                                   

Name
Pasireotide (USAN)
Formula
C58H66N10O9
Exact mass
1046.5014
Mol weight
1047.2062
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Inhibition of endocrine and exocrine secreation and proliferateion
Remark
ATC code: 
Drug group: 
Target
somatostatin receptor 5 (SSTR5) agonist [HSA:6755] [KO:K04221]
  Pathway
Neuroactive ligand-receptor 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
   H01C HYPOTHALAMIC HORMONES
    H01CB Somatostatin and analogues
     H01CB05 Pasireotide
      D10147  Pasireotide (USAN)
USP drug classification [BR:br08302]
 Hormonal Agents, Suppressant (Pituitary)
  Pasireotide
   D10147  Pasireotide (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Somatostatin
    somatostatin receptor 5 (SSTR5)
     Pasireotide
      D10147  Pasireotide (USAN)
BRITE hierarchy
Other DBs
CAS: 
396091-73-9
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        77
            1   C1y C    34.6500  -32.1300
            2   C1b C    35.8400  -32.8300
            3   N1x N    33.4600  -32.8300
            4   C5x C    34.6500  -30.7300
            5   C1b C    37.0300  -32.1300
            6   C1b C    38.2200  -32.8300
            7   C1b C    39.4100  -32.1300
            8   N1a N    40.6000  -32.8300
            9   N1x N    35.8400  -30.0300
            10  O5x O    33.4600  -30.0300
            11  C5x C    32.2700  -32.1300
            12  C1y C    31.0800  -32.8300
            13  O5x O    32.2700  -30.7300
            14  N1x N    29.8900  -32.1300
            15  C1b C    31.0800  -34.2300
            16  C8y C    32.2700  -34.9300
            17  C8y C    32.6900  -36.2600
            18  C8y C    34.0900  -36.2600
            19  N4x N    34.5100  -34.9300
            20  C8x C    33.3900  -34.0900
            21  C8x C    31.9900  -37.4500
            22  C8x C    32.6900  -38.7100
            23  C8x C    34.0900  -38.7100
            24  C8x C    34.7900  -37.4500
            25  C1y C    35.8400  -28.6300
            26  C1b C    37.0300  -27.9300
            27  C5x C    34.6500  -27.9300
            28  O5x O    33.4600  -28.6300
            29  N1x N    34.6500  -26.5300
            30  C8y C    38.2200  -28.6300
            31  C8x C    38.2200  -30.0300
            32  C8x C    39.4800  -30.7300
            33  C8y C    40.6700  -30.0300
            34  C8x C    40.6700  -28.6300
            35  C8x C    39.4800  -27.9300
            36  O2a O    41.8600  -30.7300
            37  C1b C    43.0500  -30.0300
            38  C8y C    44.2400  -30.7300
            39  C8x C    44.2400  -32.1300
            40  C8x C    45.5000  -32.8300
            41  C8x C    46.6900  -32.1300
            42  C8x C    46.6900  -30.7300
            43  C8x C    45.5000  -30.0300
            44  C1y C    33.4600  -25.8300
            45  C5x C    32.2700  -26.5300
            46  C1b C    33.4600  -24.4300
            47  C8y C    34.6500  -23.7300
            48  C8x C    35.8400  -24.4300
            49  C8x C    37.1000  -23.7300
            50  C8x C    37.1000  -22.3300
            51  C8x C    35.9100  -21.6300
            52  C8x C    34.6500  -22.3300
            53  N1y N    31.0800  -25.8300
            54  O5x O    32.2700  -27.9300
            55  C5x C    29.8900  -30.7300
            56  O5x O    31.0800  -30.0300
            57  C1y C    28.7000  -30.0300
            58  C8y C    27.5100  -30.7300
            59  N1x N    28.7000  -28.6300
            60  C8x C    26.3200  -30.0300
            61  C8x C    25.0600  -30.7300
            62  C8x C    25.0600  -32.1300
            63  C8x C    26.2500  -32.8300
            64  C8x C    27.5100  -32.1300
            65  C5x C    29.8900  -27.9300
            66  O5x O    31.0800  -28.6300
            67  C1y C    29.8900  -26.5300
            68  C1x C    30.9400  -24.5700
            69  C1x C    28.9001  -25.5401
            70  C1y C    29.5424  -24.2578
            71  O7a O    28.9537  -23.0187
            72  C7a C    27.5852  -23.0490
            73  O6a O    26.8486  -21.8362
            74  N1b N    26.9191  -24.2642
            75  C1b C    25.5500  -24.2950
            76  C1b C    24.8796  -25.5191
            77  N1a N    23.4500  -25.5506
BOND        84
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     4   9 1
            9     4  10 2
            10    3  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1
            14   12  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   16  20 2
            21   17  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   18  24 2
            26    9  25 1
            27   25  26 1
            28   25  27 1
            29   27  28 2
            30   27  29 1
            31   26  30 1
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   30  35 1
            38   33  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44   41  42 1
            45   42  43 2
            46   38  43 1
            47   29  44 1
            48   44  45 1
            49   44  46 1
            50   46  47 1
            51   47  48 2
            52   48  49 1
            53   49  50 2
            54   50  51 1
            55   51  52 2
            56   47  52 1
            57   45  53 1
            58   45  54 2
            59   14  55 1
            60   55  56 2
            61   55  57 1
            62   57  58 1
            63   57  59 1
            64   58  60 2
            65   60  61 1
            66   61  62 2
            67   62  63 1
            68   63  64 2
            69   58  64 1
            70   59  65 1
            71   65  66 2
            72   65  67 1
            73   53  67 1
            74   53  68 1
            75   67  69 1
            76   69  70 1
            77   68  70 1
            78   70  71 1 #Up
            79   71  72 1
            80   72  73 2
            81   72  74 1
            82   74  75 1
            83   75  76 1
            84   76  77 1

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