KEGG   DRUG: AvanbulinHelp
Entry
D11681                      Drug                                   

Name
Avanbulin (USAN/INN)
Formula
C20H17N7O2
Exact mass
387.1444
Mol weight
387.3947
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
     D11681  Avanbulin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 798577-91-0
ChEMBL: CHEMBL3422109
PDB-CCD: 2RR[PDBj]
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    11.5500   -9.7300
            2   C8x C    10.9200   -8.5400
            3   C8x C     9.5200   -8.5400
            4   C8x C     8.8200   -9.6600
            5   C8y C     9.4500  -10.9200
            6   C8y C    10.8500  -10.9200
            7   N5x N     8.9600  -12.2500
            8   C8y C    10.0800  -13.0900
            9   N4y N    11.2700  -12.2500
            10  C8y C    10.0800  -14.4900
            11  C1b C    12.4600  -12.9500
            12  C5a C    13.6500  -12.2500
            13  C8y C    14.8400  -12.9500
            14  O5a O    13.6500  -10.8500
            15  C8x C    14.8400  -14.3500
            16  C8x C    16.1000  -15.0500
            17  C8y C    17.2900  -14.3500
            18  C8x C    17.2900  -12.9500
            19  C8x C    16.1000  -12.2500
            20  C8y C     8.9600  -15.3300
            21  N5x N     9.3800  -16.6600
            22  O2x O    10.7800  -16.6600
            23  N5x N    11.2000  -15.3300
            24  N1b N     7.7700  -14.6300
            25  C1b C     6.5800  -15.3300
            26  C1b C     5.3900  -14.6300
            27  C3b C     4.2000  -15.3300
            28  N3a N     2.9400  -16.0300
            29  N1a N    18.4800  -15.0500
BOND        32
            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 2
            9     8   9 1
            10    6   9 1
            11    8  10 1
            12   11   9 1
            13   11  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   13  19 1
            22   10  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 1
            26   10  23 2
            27   20  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 3
            32   17  29 1

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