KEGG   DRUG: LexibulinHelp
Entry
D10073                      Drug                                   

Name
Lexibulin (USAN)
Formula
C24H30N6O2
Exact mass
434.243
Mol weight
434.534
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Target
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D10073  Lexibulin (USAN)
BRITE hierarchy
Other DBs
CAS: 917111-44-5
PubChem: 135626793
ChEMBL: CHEMBL552212
PDB-CCD: LXL[PDBj]
LigandBox: D10073
LinkDB All DBs
KCF data Show

ATOM        32
            1   N5x N    20.7900  -29.6100
            2   C8y C    20.7900  -31.0100
            3   N5x N    22.0024  -31.7100
            4   C8x C    23.2149  -31.0100
            5   C8y C    23.2149  -29.6100
            6   C8y C    22.0024  -28.9100
            7   C8y C    19.5776  -31.7100
            8   C8x C    18.3821  -31.0196
            9   C8x C    17.1696  -31.7195
            10  C8y C    17.1694  -33.1195
            11  C8y C    18.3649  -33.8099
            12  C8x C    19.5774  -33.1100
            13  N1b N    15.9466  -33.8254
            14  C5a C    14.7377  -33.1274
            15  N1b N    13.5570  -33.8090
            16  C1b C    12.3624  -33.1191
            17  O5a O    14.7373  -31.7104
            18  C1a C    11.1746  -33.8048
            19  C1a C    24.4460  -28.8990
            20  N1b N    22.0024  -27.5102
            21  C1c C    23.1980  -26.8198
            22  C1b C    24.3852  -27.5052
            23  C8y C    23.1982  -25.4103
            24  C8x C    24.3895  -24.7224
            25  C8x C    24.3894  -23.3224
            26  C8x C    23.1769  -22.6225
            27  N5x N    21.9856  -23.3104
            28  C8x C    21.9857  -24.7104
            29  C1b C    25.5766  -26.8172
            30  C1a C    26.7659  -27.5039
            31  O2a O    18.3647  -35.2098
            32  C1a C    17.1337  -35.9205
BOND        34
            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     2   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   14  17 2
            19   16  18 1
            20    5  19 1
            21    6  20 1
            22   20  21 1
            23   21  22 1 #Down
            24   21  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   23  28 1
            31   22  29 1
            32   29  30 1
            33   11  31 1
            34   31  32 1

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