KEGG   DRUG: PlinabulinHelp
Entry
D09655                      Drug                                   

Name
Plinabulin (USAN/INN)
Formula
C19H20N4O2
Exact mass
336.1586
Mol weight
336.3877
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic
Comment
tubulin depolymerizing agent
Other DBs
CAS: 714272-27-2
PubChem: 124490395
ChEMBL: CHEMBL1096380
PDB-CCD: PN6[PDBj]
LigandBox: D09655
LinkDB All DBs
KCF data Show

ATOM        25
            1   N1x N    21.2800  -23.8700
            2   C2y C    21.2800  -25.2700
            3   C5x C    22.4924  -25.9700
            4   N1x N    23.7049  -25.2700
            5   C2y C    23.7049  -23.8700
            6   C5x C    22.4924  -23.1700
            7   O5x O    22.4924  -21.7702
            8   O5x O    22.4924  -27.3698
            9   C2b C    20.0676  -25.9700
            10  C8y C    18.8721  -25.2796
            11  C8x C    18.8720  -23.8703
            12  C8x C    17.6596  -23.1703
            13  C8x C    16.4472  -23.8703
            14  C8x C    16.4472  -25.2797
            15  C8x C    17.6596  -25.9796
            16  C2b C    24.9360  -23.1590
            17  C8y C    26.1412  -23.8547
            18  N5x N    26.1412  -25.2547
            19  C8x C    27.4726  -25.6873
            20  N4x N    28.2956  -24.5547
            21  C8y C    27.4726  -23.4220
            22  C1d C    27.8933  -22.1254
            23  C1a C    29.2317  -21.8401
            24  C1a C    26.9388  -21.0658
            25  C1a C    28.2557  -20.7731
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     3   8 2
            9     2   9 2
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17    5  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 1
            23   17  21 2
            24   21  22 1
            25   22  23 1
            26   22  24 1
            27   22  25 1

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