KEGG   DRUG: GestodeneHelp
Entry
D04316                      Drug                                   

Name
Gestodene (USAN/INN)
Formula
C21H26O2
Exact mass
310.1933
Mol weight
310.4299
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01666  Progesterone receptor agonist
 DG02004  Progesterone
Efficacy
Contraceptive, Progesterone receptor agonist
Comment
Progestin
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
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)
     D04316  Gestodene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 60282-87-3
PubChem: 47206243
ChEMBL: CHEMBL101094 CHEMBL1213583
LigandBox: D04316
NIKKAJI: J18.212E
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    37.4821  -26.6925
            2   C5x C    37.4821  -28.0599
            3   C2x C    38.6663  -28.7436
            4   C2y C    39.8506  -28.0599
            5   C1y C    39.8506  -26.6925
            6   C1x C    38.6663  -26.0088
            7   C1x C    41.0348  -28.7436
            8   C1x C    42.2190  -28.0599
            9   C1y C    42.2190  -26.6925
            10  C1y C    41.0348  -26.0088
            11  C1y C    43.4033  -26.0088
            12  C1z C    43.4033  -24.6414
            13  C1x C    42.2190  -23.9576
            14  C1x C    41.0348  -24.6414
            15  C2x C    45.7717  -26.0088
            16  C2x C    45.7717  -24.6414
            17  C1z C    44.5875  -23.9576
            18  O5x O    36.2980  -28.7436
            19  C1b C    43.4033  -23.2739
            20  O1a O    44.5875  -22.5902
            21  C3b C    45.7717  -23.2739
            22  C3a C    46.9559  -22.5902
            23  C1a C    42.2396  -22.6018
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22   12  19 1 #Up
            23   17  20 1 #Up
            24   17  21 1 #Down
            25   21  22 3
            26   19  23 1

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