KEGG   DRUG: EquilinHelp
Entry
D04041                      Drug                                   

Name
Equilin (USP)
Formula
C18H20O2
Exact mass
268.1463
Mol weight
268.3502
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Remark
Same as: 
Activity
Replenisher (estrogen), Estrogen receptor agonist
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550];
NR3A2 (ESR2) [HSA:2100] [KO:K08551]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Equilin
      D04041  Equilin (USP)
    estrogen receptor 2
     Equilin
      D04041  Equilin (USP)
BRITE hierarchy
Other DBs
CAS: 
474-86-2
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    18.3132  -18.0007
            2   C8y C    18.3132  -19.3569
            3   C8x C    19.4876  -20.0349
            4   C8y C    20.6620  -19.3569
            5   C8y C    20.6620  -18.0007
            6   C8x C    19.4876  -17.3228
            7   C1x C    21.8364  -20.0349
            8   C2x C    23.0108  -19.3569
            9   C2y C    23.0108  -18.0007
            10  C1y C    21.8364  -17.3228
            11  C1y C    24.1853  -17.3228
            12  C1z C    24.1853  -15.9666
            13  C1x C    23.0108  -15.2886
            14  C1x C    21.8364  -15.9666
            15  C1x C    26.5340  -17.3228
            16  C1x C    26.5340  -15.9666
            17  C5x C    25.3596  -15.2886
            18  C1a C    24.1421  -14.6107
            19  O5x O    25.3648  -13.9325
            20  O1a O    17.0973  -20.0591
BOND        23
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            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 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 2
            23    2  20 1

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