KEGG   DRUG: D08954Help
Entry
D08954                      Drug                                   

Name
Obatoclax mesylate (USAN)
Formula
C20H19N3O. CH4SO3
Exact mass
413.1409
Mol weight
413.49
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of chronic lymphocytic leukemia and solid tumor cancer
Target
pan-BCL-2 inhibitor [HSA:596] [KO:K02161]
  Pathway
hsa04210  Apoptosis  
 
Other DBs
CAS: 
803712-79-0
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8x C    13.1600  -14.3500
            2   C8x C    13.1600  -15.7500
            3   C8x C    14.3724  -16.4500
            4   C8y C    15.5849  -15.7500
            5   C8y C    15.5849  -14.3500
            6   C8x C    14.3724  -13.6500
            7   N4x N    16.9164  -16.1826
            8   C8y C    17.7393  -15.0500
            9   C8x C    16.9164  -13.9174
            10  C2y C    19.1100  -15.0500
            11  C2x C    19.9329  -16.1826
            12  C2y C    21.2644  -15.7500
            13  C2y C    21.2644  -14.3500
            14  N2x N    19.9329  -13.9174
            15  O2a O    22.4072  -16.5804
            16  C2b C    22.4072  -13.5196
            17  C8y C    23.6766  -14.0847
            18  N4x N    23.9639  -15.4366
            19  C8y C    25.3385  -15.5811
            20  C8x C    25.9007  -14.3185
            21  C8y C    24.8736  -13.3937
            22  C1a C    24.8825  -11.9807
            23  C1a C    26.0515  -16.8157
            24  C1a C    22.4072  -17.9804
            25  S4a S    31.5000  -15.5400
            26  O1d O    31.5000  -14.1400
            27  O1d O    31.5000  -16.9400
            28  O1d O    32.9000  -15.5400
            29  C1a C    30.1000  -15.5400
BOND        31
            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 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 1
            16   10  14 2
            17   12  15 1
            18   13  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   17  21 2
            25   21  22 1
            26   19  23 1
            27   15  24 1
            28   25  26 2
            29   25  27 2
            30   25  28 1
            31   25  29 1

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