KEGG   DRUG: TaltobulinHelp
Entry
D06001                      Drug                                   

Name
Taltobulin (USAN/INN)
Formula
C27H43N3O4
Exact mass
473.3254
Mol weight
473.648
Structure
Mol fileKCF fileDB search
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
     D06001  Taltobulin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 228266-40-8
PubChem: 47207659
ChEMBL: CHEMBL182319
LigandBox: D06001
KCF data Show

ATOM        34
            1   C8x C    10.5700  -16.4500
            2   C8x C    10.5700  -17.8500
            3   C8x C    11.7824  -18.5500
            4   C8x C    12.9949  -17.8500
            5   C8y C    12.9949  -16.4500
            6   C8x C    11.7824  -15.7500
            7   C1d C    14.2260  -15.7390
            8   C1c C    15.4312  -16.4347
            9   C1a C    15.2160  -14.7490
            10  C1a C    13.2361  -14.7490
            11  C5a C    16.6135  -15.7519
            12  N1b N    15.4316  -17.8496
            13  C1a C    16.6205  -18.5359
            14  N1b N    17.8075  -16.4412
            15  O5a O    16.6135  -14.3502
            16  C1c C    18.9954  -15.7552
            17  C5a C    20.1865  -16.4429
            18  N1c N    21.3759  -15.7561
            19  C1d C    18.9955  -13.1602
            20  O5a O    20.1867  -17.8497
            21  C1a C    18.9955  -11.7602
            22  C1a C    20.3700  -13.1602
            23  C1a C    17.5700  -13.1602
            24  C1c C    22.5662  -16.4434
            25  C1a C    21.3760  -14.3502
            26  C2b C    23.7561  -15.7563
            27  C1c C    22.5664  -18.1998
            28  C1a C    23.7591  -18.8884
            29  C1a C    21.3342  -18.9114
            30  C2c C    24.9462  -16.4435
            31  C6a C    26.1361  -15.7564
            32  C1a C    24.9463  -17.8498
            33  O6a O    27.3262  -16.4435
            34  O6a O    26.1362  -14.3502
BOND        34
            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     5   7 1
            8     7   8 1
            9     7   9 1
            10    7  10 1
            11    8  11 1
            12    8  12 1 #Up
            13   12  13 1
            14   11  14 1
            15   11  15 2
            16   14  16 1
            17   16  17 1
            18   17  18 1
            19   16  19 1 #Up
            20   17  20 2
            21   19  21 1
            22   19  22 1
            23   19  23 1
            24   18  24 1
            25   18  25 1
            26   24  26 1
            27   24  27 1 #Down
            28   27  28 1
            29   27  29 1
            30   26  30 2
            31   30  31 1
            32   30  32 1
            33   31  33 1
            34   31  34 2

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