KEGG   DRUG: D06281Help
Entry
D06281                      Drug                                   

Name
Vapreotide (USAN/INN)
Formula
C57H70N12O9S2
Exact mass
1130.483
Mol weight
1131.3707
Structure
Mol fileKCF fileDB searchJmolKegDraw
Sequence
FCYWKVCW (disulfide bridge: 2-7)
  Type
Peptide
Activity
Antineoplastic
Remark
ATC code: 
Drug group: 
Target
somatostatin receptor 1 (SSTR1) agonist [HSA:6751] [KO:K04217];
somatostatin receptor 2 (SSTR2) agonist [HSA:6752] [KO:K04218];
somatostatin receptor 3 (SSTR3) agonist [HSA:6753] [KO:K04219];
somatostatin receptor 4 (SSTR4) agonist [HSA:6754] [KO:K04220];
Somatostatin receptor 5 (SSTR5) agonist [HSA:6755] [KO:K04221]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion  
 
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
     H01CB04 Vapreotide
      D06281  Vapreotide (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Somatostatin
    somatostatin receptor
     Vapreotide
      D06281  Vapreotide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
103222-11-3
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        80
            1   C8y C    20.8600  -24.3600
            2   C8x C    20.1600  -25.5500
            3   C8x C    20.8600  -26.7400
            4   C8x C    22.2600  -26.7400
            5   C8x C    22.9600  -25.5500
            6   C8y C    22.2600  -24.3600
            7   N4x N    22.7500  -23.0300
            8   C8x C    21.6300  -22.1900
            9   C8y C    20.4400  -23.0300
            10  N1b N    13.2300  -16.0300
            11  C1y C    14.4200  -16.7300
            12  C5x C    14.4200  -18.1300
            13  O5x O    13.2300  -18.8300
            14  C5x C    22.8900  -18.8300
            15  C1y C    22.8900  -20.2300
            16  O5x O    21.7000  -18.1300
            17  N1x N    21.7000  -20.9300
            18  C5x C    20.5100  -20.2300
            19  C1y C    19.2500  -20.9300
            20  O5x O    20.5100  -18.8300
            21  N1x N    18.0600  -20.2300
            22  C5x C    16.8700  -20.9300
            23  C1y C    15.6100  -20.2300
            24  C1b C    14.4200  -20.9300
            25  N1x N    15.6100  -18.8300
            26  O5x O    16.8700  -22.3300
            27  C8y C    14.4200  -22.3300
            28  C5a C    12.0400  -16.7300
            29  C1c C    10.8500  -16.0300
            30  O5a O    12.0400  -18.1300
            31  N1a N    10.8500  -14.6300
            32  C1b C     9.6600  -16.7300
            33  C8x C    13.2300  -23.0300
            34  C8x C    13.2300  -24.3600
            35  C8y C    14.4200  -25.0600
            36  C8x C    15.6100  -24.3600
            37  C8x C    15.6100  -23.0300
            38  C1b C    19.2500  -22.3300
            39  C1b C    24.0800  -20.9300
            40  N1x N    24.0800  -18.1300
            41  C1b C    25.3400  -20.2300
            42  C1b C    26.5300  -20.9300
            43  C1b C    27.7200  -20.2300
            44  N1a N    28.9100  -20.9300
            45  C1y C    24.0800  -16.7300
            46  C5x C    22.8900  -16.0300
            47  C1c C    25.2700  -16.0300
            48  C1a C    26.5300  -16.7300
            49  C1a C    25.2700  -14.6300
            50  N1x N    21.7000  -16.7300
            51  O5x O    22.8900  -14.7000
            52  C1y C    20.5100  -16.1000
            53  C1x C    19.2500  -16.8000
            54  S3x S    18.0600  -16.1000
            55  C1x C    15.6800  -16.0300
            56  S3x S    16.8700  -16.7300
            57  C5a C    20.5100  -14.7000
            58  O5a O    21.6300  -14.0000
            59  N1b N    19.2500  -14.0000
            60  C1c C    19.2500  -12.6000
            61  C5a C    18.0600  -11.9000
            62  C1b C    20.4400  -11.9000
            63  O5a O    18.0600  -10.5700
            64  N1a N    16.8700  -12.6000
            65  C8y C     9.6600  -18.1300
            66  C8x C     8.4700  -18.8300
            67  C8x C     8.4700  -20.2300
            68  C8x C     9.6600  -20.8600
            69  C8x C    10.8500  -20.2300
            70  C8x C    10.8500  -18.8300
            71  O1a O    14.4200  -26.4600
            72  C8y C    20.4400  -10.5000
            73  C8y C    21.7700  -10.0800
            74  C8x C    22.9600  -10.7800
            75  C8x C    24.1500  -10.0100
            76  C8x C    24.1500   -8.6100
            77  C8x C    22.9600   -7.9800
            78  C8y C    21.7700   -8.6800
            79  N4x N    20.4400   -8.1900
            80  C8x C    19.6000   -9.4500
BOND        86
            1     9   1 1
            2    47  48 1
            3     1   2 1
            4    47  49 1
            5     2   3 2
            6    46  50 1
            7    10  28 1
            8    46  51 2
            9     3   4 1
            10   50  52 1
            11   28  29 1
            12   52  53 1
            13    4   5 2
            14   53  54 1
            15   28  30 2
            16   11  55 1
            17    5   6 1
            18   55  56 1
            19   54  56 1
            20   29  31 1
            21   52  57 1
            22   29  32 1
            23   57  58 2
            24   11  12 1
            25   57  59 1
            26   27  33 2
            27   59  60 1
            28   33  34 1
            29   60  61 1
            30   34  35 2
            31   60  62 1
            32   35  36 1
            33   36  37 2
            34   61  63 2
            35   37  27 1
            36   61  64 1
            37   14  15 1
            38   19  38 1
            39   38   9 1
            40   12  13 2
            41   15  39 1
            42   14  16 2
            43   12  25 1
            44   15  17 1
            45   17  18 1
            46   18  19 1
            47   18  20 2
            48   19  21 1
            49   10  11 1
            50   21  22 1
            51   22  23 1
            52   23  24 1
            53   14  40 1
            54   32  65 1
            55   23  25 1
            56   39  41 1
            57   22  26 2
            58   41  42 1
            59   24  27 1
            60   65  66 2
            61   66  67 1
            62   67  68 2
            63   68  69 1
            64   69  70 2
            65   70  65 1
            66   42  43 1
            67    6   1 2
            68   43  44 1
            69    6   7 1
            70   40  45 1
            71    7   8 1
            72   45  46 1
            73    8   9 2
            74   45  47 1
            75   35  71 1
            76   62  72 1
            77   72  73 1
            78   73  74 1
            79   74  75 2
            80   75  76 1
            81   76  77 2
            82   77  78 1
            83   78  73 2
            84   78  79 1
            85   79  80 1
            86   72  80 2

» Japanese version   » Back

DBGET integrated database retrieval system