KEGG   DRUG: D09845Help
Entry
D09845                      Drug                                   

Name
Montirelin hydrate (JAN)
Formula
C17H24N6O4S. 4H2O
Exact mass
480.2002
Mol weight
480.5364
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
      D09845  Montirelin hydrate (JAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8y C    30.1700  -27.5100
            2   C8x C    31.5700  -27.5100
            3   N5x N    31.9900  -26.1800
            4   C8x C    30.8700  -25.3400
            5   N4x N    29.7500  -26.1800
            6   C1x C    33.1800  -28.2800
            7   C1x C    33.6700  -29.6100
            8   C1y C    32.4800  -30.4500
            9   N1y N    31.3600  -29.6100
            10  C1x C    31.7800  -28.2800
            11  C5a C    30.1700  -30.3100
            12  C1c C    28.9800  -29.6100
            13  N1b N    27.7200  -30.3100
            14  C5a C    26.5300  -29.6100
            15  C1y C    25.3400  -30.3100
            16  N1x N    24.0800  -29.6100
            17  C5x C    22.8900  -30.3100
            18  C1y C    22.8900  -31.7100
            19  S2x S    24.0800  -32.4100
            20  C1x C    25.3400  -31.7100
            21  O5a O    26.5300  -28.2100
            22  C1b C    28.9800  -28.2100
            23  C5a C    32.4800  -31.8500
            24  O5a O    31.2900  -32.5500
            25  N1a N    33.7400  -32.5500
            26  O5a O    30.1700  -31.7100
            27  O5x O    21.7000  -29.6100
            28  C1a C    21.7000  -32.4100
            29  O0  O    25.2700  -25.4100
            30  O0  O    25.2700  -25.4100
            31  O0  O    25.2700  -25.4100
            32  O0  O    25.2700  -25.4100
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
BRACKET     1    23.5200  -25.9700   23.5200  -24.8500
            1    25.7600  -24.8500   25.7600  -25.9700
            1  4
 ORIGINAL  1   29
 REPEAT    1   30  31  32

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