KEGG   DRUG: Palovarotene
Entry
D09365                      Drug                                   

Name
Palovarotene (USAN/INN)
Formula
C27H30N2O2
Exact mass
414.2307
Mol weight
414.5393
Structure
Efficacy
Retinoic acid receptor gamma agonist
Comment
Treatment of emphysema
Target
NR1B3 (RARG) [HSA:5916] [KO:K08529]
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B3 (RARG)
     D09365  Palovarotene (USAN/INN)
Other DBs
CAS: 410528-02-8
PubChem: 96026045
ChEMBL: CHEMBL2105648
LigandBox: D09365
LinkDB
KCF data

ATOM        31
            1   C8y C    19.1100  -22.5400
            2   C8y C    19.1100  -23.9400
            3   C8x C    20.3224  -24.6400
            4   C8y C    21.5349  -23.9400
            5   C8y C    21.5349  -22.5400
            6   C8x C    20.3224  -21.8400
            7   C1z C    17.8976  -21.8400
            8   C1x C    16.6851  -22.5400
            9   C1x C    16.6851  -23.9400
            10  C1z C    17.8976  -24.6400
            11  C1a C    18.5976  -20.6276
            12  C1a C    17.1976  -20.6276
            13  C1a C    17.1976  -25.8524
            14  C1a C    18.5976  -25.8524
            15  C2b C    22.7660  -21.8290
            16  C1b C    22.7660  -24.6510
            17  C2b C    23.9712  -22.5247
            18  C8y C    25.1535  -21.8419
            19  C8x C    26.3475  -22.5312
            20  C8x C    27.5599  -21.8312
            21  C8y C    27.5599  -20.4312
            22  C8x C    26.3659  -19.7418
            23  C8x C    25.1535  -20.4419
            24  C6a C    28.7834  -19.7246
            25  O6a O    29.9924  -20.4225
            26  O6a O    28.7831  -18.3401
            27  N4y N    22.7660  -26.0510
            28  C8x C    21.6283  -26.8777
            29  C8x C    22.0630  -28.2152
            30  C8x C    23.4693  -28.2151
            31  N5x N    23.9038  -26.8776
BOND        34
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     1   6 1
            6     1   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    2  10 1
            11    1   2 2
            12    7  11 1
            13    7  12 1
            14   10  13 1
            15   10  14 1
            16    5  15 1
            17    4  16 1
            18   15  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   18  23 2
            26   21  24 1
            27   24  25 1
            28   24  26 2
            29   16  27 1
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   27  31 1

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