KEGG   DRUG: Obatoclax mesylateHelp
Entry
D08954                      Drug                                   

Name
Obatoclax mesylate (USAN)
Formula
C20H19N3O. CH4SO3
Exact mass
413.1409
Mol weight
413.49
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic, BCL-2 inhibitor
Comment
Treatment of chronic lymphocytic leukemia and solid tumor cancer
Target
pan-BCL-2 [HSA:596] [KO:K02161]
  Pathway
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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