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KEGG   DRUG: Mivobulin isethionate
Entry
D05062                      Drug                                   
Name
Mivobulin isethionate (USAN)
Formula
C17H19N5O2. C2H6O4S
Exact mass
451.1526
Mol weight
451.50
Structure
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Target
TUBB [HSA:10381 10382 10383 203068 347688 347733 7280 81027 84617] [KO:K07375]
  Pathway
hsa04540  Gap junction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D05062  Mivobulin isethionate (USAN)
Other DBs
CAS: 126268-81-3
PubChem: 47206789
LigandBox: D05062
NIKKAJI: J1.868.485C
KCF data

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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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (10)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (9)   
All databases (14)   

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