KEGG   DRUG: OxytocinHelp
Entry
D00089                      Drug                                   

Name
Oxytocin (JP17/USP/INN);
Oxytocin (TN);
Pitocin (TN);
Syntocinon (TN)
Product
  Generic
  Other
Formula
C43H66N12O12S2
Exact mass
1006.4365
Mol weight
1007.1873
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Sequence
Cys Tyr Ile Gln Asn Cys Pro Leu Gly (Disulfide bridge: 1-6)
  Type
Peptide
Remark
Same as: 
Therapeutic category: 
ATC code: 
Activity
Oxytocic, Oxytocin receptor agonist
Comment
Posterior pituitary hormone
Target
OXTR [HSA:5021] [KO:K04229]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
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
    H01BB Oxytocin and analogues
     H01BB02 Oxytocin
      D00089  Oxytocin (JP17/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   241  Pituitary hormone preparations
    2414  Posterior pituitary hormones
     D00089  Oxytocin (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Oxytocin
    oxytocin receptor
     Oxytocin
      D00089  Oxytocin (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00089  Oxytocin
  D00089  Oxytocin injection
Endocrine and hormonal agents [br08373.html]
 Hormone related agents
  D00089
 Other gynecological agents
  D00089
BRITE hierarchy
Other DBs
CAS: 
50-56-6
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        69
            1   C8x C    26.7400  -15.1900
            2   C8y C    26.7400  -16.5900
            3   C8x C    27.9300  -17.2900
            4   C8x C    29.1900  -16.5900
            5   C8y C    29.1900  -15.1900
            6   C8x C    27.9300  -14.4900
            7   O1a O    25.5500  -17.2900
            8   C1b C    30.3800  -14.4900
            9   C1y C    32.1300  -15.1900
            10  C5x C    33.3200  -14.4900
            11  N1x N    32.1300  -16.5900
            12  N1x N    34.5100  -15.1900
            13  O5x O    33.3200  -13.0900
            14  C5x C    30.9400  -17.2900
            15  C1y C    30.9400  -18.6900
            16  O5x O    29.7500  -16.5900
            17  N1a N    29.7500  -19.3900
            18  C1x C    32.1300  -19.3900
            19  S3x S    32.1300  -20.7900
            20  S3x S    33.3200  -21.4900
            21  C1x C    34.5100  -20.7900
            22  C1y C    35.7000  -21.4900
            23  N1x N    36.8900  -20.7900
            24  C5a C    35.7000  -22.8900
            25  O5a O    34.5100  -23.5900
            26  N1y N    36.8900  -23.5900
            27  C1y C    36.8900  -24.9900
            28  C1x C    38.2200  -25.4100
            29  C1x C    39.0600  -24.2900
            30  C1x C    38.2200  -23.1700
            31  C5a C    35.7700  -25.8300
            32  N1b N    34.5100  -25.2700
            33  O5a O    35.7700  -27.2300
            34  C5a C    32.1300  -25.2700
            35  C1c C    33.3200  -25.9700
            36  C1b C    33.3200  -27.3700
            37  C1c C    32.1300  -28.0700
            38  C1a C    30.9400  -27.3700
            39  C1a C    32.1300  -29.4700
            40  N1b N    30.9400  -25.9700
            41  O5a O    32.1300  -23.8700
            42  C1b C    29.7500  -25.2700
            43  C5a C    28.5600  -25.9700
            44  N1a N    27.3700  -25.2700
            45  O5a O    28.5600  -27.3700
            46  C5x C    36.8900  -19.3900
            47  O5x O    35.7000  -18.6900
            48  C1y C    38.0800  -18.6900
            49  N1x N    38.0800  -17.2900
            50  C5x C    39.2700  -16.5900
            51  O5x O    40.5300  -17.2900
            52  C1y C    39.2700  -15.1900
            53  N1x N    38.0800  -14.4900
            54  C5x C    36.8900  -15.1900
            55  C1y C    35.7000  -14.4900
            56  O5x O    36.8900  -16.5900
            57  C1c C    35.7000  -13.0900
            58  C1b C    36.8900  -12.3900
            59  C1a C    38.0800  -13.0900
            60  C1a C    34.5100  -12.3900
            61  C1b C    39.3400  -19.3900
            62  C1b C    40.4600  -14.4900
            63  C1b C    41.7200  -15.1900
            64  C5a C    42.9100  -14.4200
            65  N1a N    44.1000  -15.1200
            66  O5a O    42.9100  -13.0200
            67  C5a C    39.3400  -20.7900
            68  N1a N    40.5300  -21.4900
            69  O5a O    38.1500  -21.4900
BOND        71
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     9   8 1 #Up
            10    9  10 1
            11    9  11 1
            12   10  12 1
            13   10  13 2
            14   11  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1 #Down
            18   15  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   22  24 1 #Down
            25   24  25 2
            26   24  26 1
            27   26  27 1
            28   27  28 1 #Up
            29   28  29 1
            30   29  30 1
            31   26  30 1
            32   27  31 1
            33   31  32 1
            34   31  33 2
            35   34  35 1
            36   35  32 1
            37   35  36 1 #Up
            38   36  37 1
            39   37  38 1
            40   37  39 1
            41   34  40 1
            42   34  41 2
            43   40  42 1
            44   42  43 1
            45   43  44 1
            46   43  45 2
            47   23  46 1
            48   46  47 2
            49   46  48 1
            50   48  49 1
            51   49  50 1
            52   50  51 2
            53   50  52 1
            54   52  53 1
            55   53  54 1
            56   55  54 1 #Up
            57   55  12 1
            58   54  56 2
            59   55  57 1
            60   57  58 1
            61   58  59 1
            62   57  60 1 #Up
            63   48  61 1 #Up
            64   52  62 1 #Up
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   64  66 2
            69   61  67 1
            70   67  68 1
            71   67  69 2

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