KEGG   DRUG: Sabizabulin
Entry
D12519                      Drug                                   
Name
Sabizabulin (USAN/INN)
Formula
C21H19N3O4
Exact mass
377.1376
Mol weight
377.39
Structure
Remark
Chemical structure group: DG03253
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Target
  Pathway
hsa04540  Gap junction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D12519  Sabizabulin (USAN/INN)
Other DBs
CAS: 1332881-26-1
PubChem: 497620932
PDB-CCD: KUM[PDBj]
LinkDB
KCF data

ATOM        28
            1   C8y C    10.5000  -16.5200
            2   C8y C    10.5000  -15.1200
            3   C8y C    11.6900  -14.4200
            4   C8x C    12.9500  -15.1200
            5   C8y C    12.9500  -16.5200
            6   C8x C    11.6900  -17.2200
            7   O2a O     9.3100  -17.2200
            8   C1a C     8.1200  -16.5200
            9   O2a O     9.3100  -14.4200
            10  C1a C     8.1200  -15.1200
            11  O2a O    11.6900  -13.0200
            12  C1a C    10.5000  -12.3200
            13  C5a C    14.1400  -17.2200
            14  C8y C    15.3300  -16.5200
            15  O5a O    14.1400  -18.6200
            16  C8x C    15.7163  -15.1581
            17  N5x N    17.0711  -15.0495
            18  C8y C    17.6141  -16.3188
            19  N4x N    16.5780  -17.2446
            20  C8y C    18.9850  -16.6357
            21  C8y C    20.0905  -15.7188
            22  C8y C    21.2602  -16.5039
            23  N4x N    20.9433  -17.8748
            24  C8x C    19.5191  -17.9745
            25  C8x C    20.0602  -14.3035
            26  C8x C    21.3385  -13.6910
            27  C8x C    22.5171  -14.4067
            28  C8x C    22.4779  -15.8132
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     1   7 1
            8     7   8 1
            9     2   9 1
            10    9  10 1
            11    3  11 1
            12   11  12 1
            13    5  13 1
            14   13  14 1
            15   13  15 2
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   14  19 1
            21   18  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   20  24 2
            27   21  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   22  28 2

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