KEGG   DRUG: AsoprisnilHelp
Entry
D02996                      Drug                                   

Name
Asoprisnil (USAN/INN)
Formula
C28H35NO4
Exact mass
449.2566
Mol weight
449.5818
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of endometriosis and uterine fibroids, Possible adjunct to hormone replacement therapy
Comment
Selective progesterone receptor modulator
Target
progesterone receptor agonist/antagonist [HSA:5241] [KO:K08556]
  Pathway
Oocyte meiosis
Progesterone-mediated oocyte maturation
Structure map
Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    progesterone receptor
     Asoprisnil
      D02996  Asoprisnil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
199396-76-4
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        33
            1   C2y C    28.3389  -18.0465
            2   C1y C    29.4579  -18.7458
            3   C1y C    28.3389  -16.6477
            4   C2y C    27.0800  -18.7458
            5   C1y C    30.7169  -18.0465
            6   C1x C    29.4579  -20.0747
            7   C1x C    29.5279  -16.0182
            8   C8y C    27.1499  -15.9483
            9   C2y C    27.0800  -20.0747
            10  C1x C    25.9610  -18.0465
            11  C1z C    30.7168  -16.7176
            12  C1x C    28.2690  -20.7741
            13  C8x C    27.1499  -14.6194
            14  C8x C    25.9610  -16.6477
            15  C2x C    25.9610  -20.7741
            16  C1x C    24.7720  -18.7458
            17  C8x C    25.9610  -13.9201
            18  C8x C    24.7720  -15.9483
            19  C5x C    24.7720  -20.0747
            20  C8y C    24.7720  -14.6194
            21  O5x O    23.5830  -20.7741
            22  C1a C    30.7168  -15.0391
            23  C1x C    33.0248  -18.0465
            24  C1x C    33.0248  -16.7176
            25  C1z C    31.9058  -16.0882
            26  O2a O    31.9058  -14.7593
            27  C2b C    23.5578  -13.9249
            28  N2b N    22.3704  -14.6174
            29  O1b O    21.1827  -13.9385
            30  C1a C    30.6967  -14.0892
            31  C1b C    33.1182  -15.3882
            32  O2a O    34.5182  -15.3882
            33  C1a C    35.2110  -14.1881
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   6 1
            5     3   7 1
            6     3   8 1 #Up
            7     4   9 1
            8     4  10 1
            9     6  12 1
            10    8  13 2
            11    8  14 1
            12    9  15 2
            13   10  16 1
            14   13  17 1
            15   14  18 2
            16   15  19 1
            17   17  20 2
            18   19  21 2
            19    7  11 1
            20    9  12 1
            21   16  19 1
            22   18  20 1
            23   11  22 1 #Up
            24   23  24 1
            25   24  25 1
            26   11  25 1
            27   25  26 1 #Up
            28    5  11 1
            29    5  23 1
            30    2   5 1
            31   20  27 1
            32   27  28 2
            33   28  29 1
            34   26  30 1
            35   25  31 1 #Down
            36   31  32 1
            37   32  33 1

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