KEGG   DRUG: Amadinone acetateHelp
Entry
D02881                      Drug                                   

Name
Amadinone acetate (USAN)
Formula
C22H27ClO4
Exact mass
390.1598
Mol weight
390.9004
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Progesterone receptor agonist
Comment
Progestin
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D02881  Amadinone acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 22304-34-3
PubChem: 17397038
ChEMBL: CHEMBL2104011
LigandBox: D02881
NIKKAJI: J11.412J
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1z C    31.2393  -14.2918
            2   C5a C    31.2393  -12.8907
            3   O5a O    32.4302  -12.1901
            4   C1a C    30.0483  -12.1901
            5   O7a O    32.4302  -13.5912
            6   C7a C    33.6211  -14.2918
            7   C1a C    34.8120  -13.5912
            8   O6a O    33.6211  -15.6228
            9   C1z C    30.0483  -14.9222
            10  C1y C    30.0483  -16.3233
            11  C1x C    32.4302  -16.3233
            12  C1x C    32.4302  -14.9222
            13  C1x C    24.0937  -16.9538
            14  C5x C    24.0937  -18.3549
            15  C2x C    25.2846  -19.0555
            16  C1x C    25.2846  -16.3233
            17  C1y C    26.4756  -16.9538
            18  C2y C    26.4756  -18.3549
            19  C2y C    27.6665  -19.0555
            20  C2x C    28.8574  -18.3549
            21  C1y C    27.6665  -16.3233
            22  C1y C    28.8574  -17.0239
            23  C1x C    28.9275  -14.2918
            24  C1x C    27.6665  -14.9222
            25  C1a C    30.0483  -13.5912
            26  O5x O    22.9028  -19.0555
            27  X   Cl   27.6665  -20.4565
BOND        30
            1     1   5 1 #Down
            2    13  14 1
            3    14  15 1
            4    15  18 2
            5    17  16 1
            6    16  13 1
            7     2   3 2
            8     5   6 1
            9     6   8 2
            10   17  18 1
            11   18  19 1
            12   19  20 2
            13   20  22 1
            14   21  17 1
            15    1   2 1 #Up
            16    6   7 1
            17    2   4 1
            18   21  22 1
            19   22  10 1
            20    9  23 1
            21   23  24 1
            22   24  21 1
            23    9  10 1
            24    9  25 1 #Up
            25   11  12 1
            26   12   1 1
            27    1   9 1
            28   10  11 1
            29   14  26 2
            30   19  27 1

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