KEGG   DRUG: Menogaril
Entry
D04914                      Drug                                   

Name
Menogaril (USAN/INN)
Formula
C28H31NO10
Exact mass
541.1948
Mol weight
541.5464
Structure
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Comment
Anthracyclines
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D04914  Menogaril (USAN/INN)
Other DBs
CAS: 71628-96-1
PubChem: 47206671
ChEMBL: CHEMBL1234391
PDB-CCD: MNG[PDBj]
LigandBox: D04914
NIKKAJI: J59.177G
LinkDB
KCF data

ATOM        39
            1   C8y C    45.0636  -28.3807
            2   C8y C    45.0636  -29.7187
            3   C8x C    43.7960  -27.6765
            4   C1x C    46.2608  -27.6765
            5   C1y C    46.2608  -30.4229
            6   C8y C    43.8665  -30.4229
            7   C8y C    42.5988  -28.3807
            8   C1z C    47.4580  -28.3103
            9   C1x C    47.4580  -29.7187
            10  C8y C    42.5988  -29.7187
            11  O1a O    43.8665  -31.7610
            12  C5x C    41.4016  -27.6765
            13  O1a O    48.1622  -27.1131
            14  C5x C    41.4016  -30.4229
            15  C8y C    40.2044  -28.3807
            16  O5x O    41.4016  -26.3385
            17  C8y C    40.2044  -29.7187
            18  O5x O    41.4016  -31.7610
            19  C8y C    39.0072  -30.4229
            20  C8y C    37.8805  -28.3807
            21  C8x C    37.8805  -29.7187
            22  O1a O    39.0072  -31.8314
            23  O2a O    46.2608  -31.8314
            24  C1a C    47.4580  -32.5356
            25  C1a C    48.7960  -28.6624
            26  C8y C    39.0072  -27.6765
            27  O2x O    38.9580  -26.2690
            28  C1y C    37.7143  -25.6078
            29  O2x O    36.5876  -26.3120
            30  C1z C    36.6368  -27.7196
            31  C1y C    36.5018  -24.9078
            32  C1y C    35.4243  -27.0196
            33  C1y C    35.4243  -25.6196
            34  C1a C    36.6368  -29.1196
            35  N1c N    34.1882  -24.9547
            36  O1a O    36.4598  -23.5200
            37  O1a O    34.2085  -27.7216
            38  C1a C    32.9932  -25.6936
            39  C1a C    34.1456  -23.5201
BOND        44
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1 #Up
            13   10  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 1
            17   14  18 2
            18   17  19 1
            19   19  21 2
            20    7  10 2
            21    8   9 1
            22   15  17 2
            23   20  21 1
            24   19  22 1
            25    5  23 1 #Up
            26   23  24 1
            27    8  25 1 #Down
            28   15  26 1
            29   20  26 2
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   20  30 1
            35   28  31 1
            36   30  32 1
            37   32  33 1
            38   33  31 1
            39   30  34 1 #Up
            40   33  35 1 #Up
            41   31  36 1 #Down
            42   32  37 1 #Down
            43   35  38 1
            44   35  39 1

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