KEGG   DRUG: Protirelin tartrate hydrate
Entry
D02007                      Drug                                   
Name
Protirelin tartrate hydrate (JP18);
Hirtonin (TN)
Formula
C16H22N6O4. C4H6O6. H2O
Exact mass
530.1973
Mol weight
530.4858
Structure
Remark
Therapeutic category: 1190 7223
ATC code: V04CJ02
Chemical structure group: DG01171
Product (DG01171): D00176<JP> D02007<JP>
Efficacy
Thyrotropin-releasing hormone receptor agonist
Comment
tripeptide
Target
TRHR [HSA:7201] [KO:K04282]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V04 DIAGNOSTIC AGENTS
   V04C OTHER DIAGNOSTIC AGENTS
    V04CJ Tests for thyreoidea function
     V04CJ02 Protirelin
      D02007  Protirelin tartrate hydrate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D02007  Protirelin tartrate hydrate (JP18)
 7  Agents not mainly for therapeutic purpose
  72  Intracorporeal diagnostic agents
   722  Various function testing reagents
    7223  Diagnostic reagents for endocrine function
     D02007  Protirelin tartrate hydrate (JP18)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thyrotropin-releasing hormone
    TRHR
     D02007  Protirelin tartrate hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02007  Protirelin tartrate hydrate
Other DBs
CAS: 53935-32-3
PubChem: 7849069
LigandBox: D02007
NIKKAJI: J391.511E
KCF data

ATOM        37
            1   C1x C    16.1545  -21.0629
            2   C1y C    16.5734  -19.7134
            3   N1x N    15.4564  -18.8757
            4   C5x C    14.2929  -19.7134
            5   C1x C    14.7583  -21.0629
            6   C8y C    21.4135  -16.9676
            7   C8x C    22.8097  -16.9676
            8   N5x N    23.2285  -15.6177
            9   C8x C    22.1116  -14.8266
            10  N4x N    20.9946  -15.6177
            11  C1x C    24.4385  -17.7122
            12  C1x C    24.9039  -19.0618
            13  C1y C    23.7404  -19.8996
            14  N1y N    22.6235  -19.0618
            15  C1x C    23.0424  -17.7122
            16  C5a C    21.4135  -19.7599
            17  C1c C    20.2035  -19.0618
            18  N1b N    18.9933  -19.7599
            19  C5a C    17.7834  -19.0618
            20  O5a O    17.7834  -17.6657
            21  C1b C    20.2035  -17.6657
            22  C5a C    23.7404  -21.2956
            23  O5a O    22.5304  -21.9937
            24  N1a N    24.9505  -21.9937
            25  O5a O    21.4135  -21.1560
            26  O5x O    12.9897  -19.2945
            27  O6a O    27.9304  -17.6636
            28  C6a C    29.1429  -16.9636
            29  C1c C    30.3553  -17.6636
            30  C1c C    31.5677  -16.9636
            31  C6a C    32.7802  -17.6636
            32  O6a O    33.9926  -16.9636
            33  O6a O    29.1429  -15.5636
            34  O1a O    31.5677  -15.5636
            35  O1a O    30.3553  -19.0636
            36  O6a O    32.7802  -19.0636
            37  O0  O    31.5001  -21.8634
BOND        37
            1    11  12 1
            2    12  13 1
            3    13  14 1
            4    14  15 1
            5    15  11 1
            6     4   5 1
            7    14  16 1
            8     6   7 2
            9    16  17 1
            10    7   8 1
            11   17  18 1
            12    8   9 2
            13   18  19 1
            14    9  10 1
            15   19  20 2
            16   10   6 1
            17   17  21 1 #Up
            18   21   6 1
            19    5   1 1
            20   13  22 1 #Up
            21   22  23 2
            22    1   2 1
            23   22  24 1
            24    2   3 1
            25   16  25 2
            26    2  19 1 #Down
            27    3   4 1
            28    4  26 2
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   28  33 2
            35   30  34 1 #Up
            36   29  35 1 #Up
            37   31  36 2

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