KEGG   DRUG: Mivobulin isethionateHelp
Entry
D05062                      Drug                                   

Name
Mivobulin isethionate (USAN)
Formula
C17H19N5O2. C2H6O4S
Exact mass
451.1526
Mol weight
451.4967
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
     D05062  Mivobulin isethionate (USAN)
BRITE hierarchy
Other DBs
CAS: 126268-81-3
PubChem: 47206789
ChEMBL: CHEMBL1965985
LigandBox: D05062
NIKKAJI: J1.868.485C
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    10.3600  -13.7900
            2   N5x N    10.3600  -15.1900
            3   C8y C    11.5724  -15.8900
            4   C8y C    12.7849  -15.1900
            5   C8y C    12.7849  -13.7900
            6   C8x C    11.5724  -13.0900
            7   N2x N    13.9973  -15.8900
            8   C2y C    15.2097  -15.1900
            9   C1y C    15.2097  -13.7900
            10  N1x N    13.9973  -13.0900
            11  C8y C    16.4073  -15.8815
            12  N1a N    11.5724  -17.2898
            13  N1b N     9.1476  -13.0900
            14  C7a C     7.9521  -13.7804
            15  O7a O     6.7647  -13.0949
            16  O6a O     7.9520  -15.1897
            17  C1b C     5.5735  -13.7829
            18  C1a C     4.3840  -13.0962
            19  C8x C    16.4073  -17.2897
            20  C8x C    17.6198  -17.9897
            21  C8x C    18.8322  -17.2897
            22  C8x C    18.8322  -15.8815
            23  C8x C    17.6197  -15.1815
            24  C1a C    16.4073  -13.0985
            25  C1b C    23.8218  -15.4608
            26  S4a S    25.2156  -15.4542
            27  O1d O    25.2092  -14.0604
            28  O1d O    26.6094  -15.4542
            29  O1d O    25.2092  -16.8544
            30  C1b C    23.1000  -14.2243
            31  O1a O    21.7135  -14.2310
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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13    3  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   17  18 1
            20   11  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   11  23 1
            26    9  24 1 #Up
            27   25  26 1
            28   26  27 1
            29   26  28 2
            30   26  29 2
            31   25  30 1
            32   30  31 1

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