KEGG   DRUG: D10147Help
Entry
D10147                      Drug                                   

Name
Pasireotide (USAN);
Signifor (TN)
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
hsa04080  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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