KEGG   DRUG: Asoprisnil
Entry
D02996                      Drug                                   
Name
Asoprisnil (USAN/INN)
Formula
C28H35NO4
Exact mass
449.2566
Mol weight
449.58
Structure
Efficacy
Replenisher (hormone)
Comment
Selective progesterone receptor modulator
Treatment of endometriosis and uterine fibroids, Possible adjunct to hormone replacement therapy
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D02996  Asoprisnil (USAN/INN)
Other DBs
CAS: 199396-76-4
PubChem: 17397152
PDB-CCD: AS0[PDBj]
LigandBox: D02996
NIKKAJI: J2.307.050B
LinkDB
KCF data

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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