KEGG   DRUG: AmsacrineHelp
Entry
D02321                      Drug                                   

Name
Amsacrine (USAN/INN);
Amsidyl (TN)
Formula
C21H19N3O3S
Exact mass
393.1147
Mol weight
393.4589
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01529  Topoisomerase inhibitor
  DG01527  Topoisomerase II inhibitor
Remark
Same as: C01553
ATC code: L01XX01
Efficacy
Antineoplastic, Topoisomerase II inhibitor
Target
TOP2 [HSA:7153 7155] [KO:K03164]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX01 Amsacrine
      D02321  Amsacrine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D02321  Amsacrine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 51264-14-3
PubChem: 7849380
ChEBI: 2687
ChEMBL: CHEMBL43
DrugBank: DB00276
PDB-CCD: ASW[PDBj]
LigandBox: D02321
NIKKAJI: J1.056A
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    40.9668  -26.7547
            2   C8x C    40.9668  -28.1555
            3   C8x C    42.1575  -28.8558
            4   C8y C    43.4182  -28.1555
            5   C8y C    43.4182  -26.7547
            6   C8x C    42.1575  -26.0544
            7   N5x N    44.6088  -28.8558
            8   C8y C    45.7994  -28.1555
            9   C8y C    45.7994  -26.7547
            10  C8y C    44.6088  -26.0544
            11  C8x C    47.0601  -28.8558
            12  C8x C    48.2507  -28.1555
            13  C8x C    48.2507  -26.7547
            14  C8x C    47.0601  -26.0544
            15  N1b N    44.6088  -24.6536
            16  C8y C    45.7994  -23.9532
            17  C8x C    46.9900  -24.6536
            18  C8x C    48.2507  -23.9532
            19  C8y C    48.2507  -22.5525
            20  C8x C    47.0601  -21.8521
            21  C8y C    45.7994  -22.5525
            22  O2a O    44.6088  -21.8521
            23  C1a C    43.4182  -22.5525
            24  N1b N    49.4414  -21.8521
            25  S4a S    50.8421  -21.8521
            26  C1a C    52.2428  -21.8521
            27  O3c O    50.8421  -23.2529
            28  O3c O    50.8421  -20.4514
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   16  21 1
            25   21  22 1
            26   22  23 1
            27   19  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   25  28 2

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