KEGG   DRUG: IndibulinHelp
Entry
D10013                      Drug                                   

Name
Indibulin (USAN/INN)
Formula
C22H16ClN3O2
Exact mass
389.0931
Mol weight
389.8343
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Target
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D10013  Indibulin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 204205-90-3
PubChem: 135626734
ChEMBL: CHEMBL49642
LigandBox: D10013
LinkDB All DBs
KCF data Show

ATOM        28
            1   N4y N    16.3800  -18.9700
            2   C8y C    16.8000  -20.3000
            3   C8y C    18.2000  -20.3000
            4   C8y C    18.6200  -18.9700
            5   C8x C    17.5000  -18.1300
            6   C5a C    19.8100  -18.2700
            7   C5a C    21.0000  -18.9700
            8   O5a O    19.8100  -16.8700
            9   N1b N    22.1900  -18.2700
            10  O5a O    21.0000  -20.3700
            11  C8y C    23.3800  -18.9700
            12  C8x C    23.3800  -20.3700
            13  C8x C    24.6400  -21.0700
            14  N5x N    25.8300  -20.3700
            15  C8x C    25.8300  -18.9700
            16  C8x C    24.6400  -18.2700
            17  C1b C    15.1900  -18.2700
            18  C8y C    14.0000  -18.9700
            19  C8x C    12.8100  -18.2700
            20  C8x C    11.5500  -18.9700
            21  C8y C    11.5500  -20.3700
            22  C8x C    12.7400  -21.0700
            23  C8x C    14.0000  -20.3700
            24  C8x C    16.1000  -21.5124
            25  C8x C    16.8000  -22.7249
            26  C8x C    18.2000  -22.7249
            27  C8x C    18.9000  -21.5124
            28  X   Cl   10.3347  -21.0651
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     6   7 1
            7     6   4 1
            8     6   8 2
            9     7   9 1
            10    7  10 2
            11    9  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   17   1 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26    2  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30    3  27 2
            31   21  28 1

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