KEGG   DRUG: ZanoteroneHelp
Entry
D06357                      Drug                                   

Name
Zanoterone (USAN/INN)
Formula
C23H32N2O3S
Exact mass
416.2134
Mol weight
416.5768
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01623  Steroid-type antiandrogen
Efficacy
Androgen receptor antagonist
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D06357  Zanoterone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 107000-34-0
PubChem: 47208014
ChEMBL: CHEMBL1908363
LigandBox: D06357
NIKKAJI: J365.874K
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    12.9500  -27.9300
            2   C8y C    12.9500  -29.3300
            3   C1x C    14.1624  -30.0300
            4   C1y C    15.3749  -29.3300
            5   C1z C    15.3749  -27.9300
            6   C1x C    14.1624  -27.2300
            7   C1x C    16.5873  -30.0300
            8   C1x C    17.7997  -29.3300
            9   C1y C    17.7997  -27.9300
            10  C1y C    16.5873  -27.2300
            11  C1y C    19.0122  -27.2300
            12  C1z C    19.0122  -25.8300
            13  C1x C    17.7997  -25.1300
            14  C1x C    16.5873  -25.8300
            15  C1x C    21.4370  -27.2300
            16  C1x C    21.4370  -25.8300
            17  C1z C    20.2246  -25.1300
            18  O1a O    20.2246  -23.7300
            19  C1a C    19.0122  -24.4300
            20  C1a C    15.3749  -26.5300
            21  C8x C    11.6185  -27.4974
            22  N4y N    10.7956  -28.6300
            23  N5x N    11.6185  -29.7626
            24  S4a S     9.3956  -28.6300
            25  C1a C     7.9956  -28.6300
            26  O3c O     9.3956  -27.2300
            27  O3c O     9.3956  -30.0300
            28  C3b C    21.4370  -24.4300
            29  C3a C    22.6495  -23.7300
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            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 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   12  19 1 #Up
            23    5  20 1 #Up
            24    1  21 2
            25   21  22 1
            26   22  23 1
            27    2  23 2
            28   22  24 1
            29   24  25 1
            30   24  26 2
            31   24  27 2
            32   17  28 1 #Down
            33   28  29 3

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