KEGG   DRUG: D02588Help
Entry
D02588                      Drug                                   

Name
Montirelin (INN)
Formula
C17H24N6O4S
Exact mass
408.158
Mol weight
408.4753
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Drug group: 
Comment
Thyrotropin-releasing hormone
Target
Thyrotropin-releasing hormone receptor agonist [HSA:7201] [KO:K04282]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thyrotropin-releasing hormone
    Thyrotropin-releasing hormone (TRH) receptor
     Montirelin
      D02588  Montirelin (INN)
BRITE hierarchy
Other DBs
CAS: 
90243-66-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8y C    24.5700  -14.7700
            2   C8x C    25.9700  -14.7700
            3   N5x N    26.3900  -13.4400
            4   C8x C    25.2700  -12.6000
            5   N4x N    24.1500  -13.4400
            6   C1x C    27.5800  -15.5400
            7   C1x C    28.0700  -16.8700
            8   C1y C    26.8800  -17.7100
            9   N1y N    25.7600  -16.8700
            10  C1x C    26.1800  -15.5400
            11  C5a C    24.5700  -17.5700
            12  C1c C    23.3800  -16.8700
            13  N1b N    22.1200  -17.5700
            14  C5a C    20.9300  -16.8700
            15  C1y C    19.7400  -17.5700
            16  N1x N    18.4800  -16.8700
            17  C5x C    17.2900  -17.5700
            18  C1y C    17.2900  -18.9700
            19  S2x S    18.4800  -19.6700
            20  C1x C    19.7400  -18.9700
            21  O5a O    20.9300  -15.4700
            22  C1b C    23.3800  -15.4700
            23  C5a C    26.8800  -19.1100
            24  O5a O    25.6900  -19.8100
            25  N1a N    28.1400  -19.8100
            26  O5a O    24.5700  -18.9700
            27  O5x O    16.1000  -16.8700
            28  C1a C    16.1000  -19.6700
BOND        30
            1    13  14 1
            2     3   4 2
            3    15  14 1 #Down
            4     4   5 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    15  16 1
            10   16  17 1
            11   17  18 1
            12   18  19 1
            13   19  20 1
            14   20  15 1
            15   10   6 1
            16   14  21 2
            17    5   1 1
            18   12  22 1 #Up
            19   22   1 1
            20    9  11 1
            21    8  23 1 #Up
            22   23  24 2
            23   11  12 1
            24   23  25 1
            25    1   2 2
            26   11  26 2
            27   12  13 1
            28   17  27 2
            29    2   3 1
            30   18  28 1 #Down

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