KEGG   DRUG: VerubulinHelp
Entry
D10029                      Drug                                   

Name
Verubulin (USAN/INN)
Formula
C17H17N3O
Exact mass
279.1372
Mol weight
279.3364
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01411
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
     D10029  Verubulin (USAN/INN)
BRITE hierarchy
Other DBs
PubChem: 135626749
ChEMBL: CHEMBL492399
PDB-CCD: 88U[PDBj]
LigandBox: D10029
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    12.4600  -18.7600
            2   C8y C    12.4600  -20.1600
            3   C8x C    13.6724  -20.8600
            4   C8x C    14.8849  -20.1600
            5   C8y C    14.8849  -18.7600
            6   C8x C    13.6724  -18.0600
            7   O2a O    11.2476  -20.8600
            8   C1a C    10.0521  -20.1696
            9   N1c N    16.1160  -18.0490
            10  C8y C    17.3212  -18.7447
            11  C1a C    16.1157  -16.6601
            12  N5x N    17.3216  -20.1596
            13  C8y C    18.5342  -20.8593
            14  N5x N    19.7465  -20.1589
            15  C8y C    19.7460  -18.7439
            16  C8y C    18.5334  -18.0443
            17  C8x C    20.9583  -18.0436
            18  C8x C    20.9578  -16.6436
            19  C8x C    19.7452  -15.9439
            20  C8x C    18.5330  -16.6443
            21  C1a C    18.5346  -22.2599
BOND        23
            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 1
            9     5   9 1
            10    9  10 1
            11    9  11 1
            12   10  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   10  16 1
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   16  20 1
            23   13  21 1

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