KEGG   DRUG: Zotiraciclib citrateHelp
Entry
D11600                      Drug                                   

Name
Zotiraciclib citrate (USAN9
Formula
C23H24N4O. C6H8O7
Exact mass
564.222
Mol weight
564.5864
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic
Target
CDK1 [HSA:983] [KO:K02087]
CDK2 [HSA:1017] [KO:K02206]
CDK7 [HSA:1022] [KO:K02202]
CDK9 [HSA:1025] [KO:K02211]
JAK2 [HSA:3717] [KO:K04447]
FLT3 (CD135) [HSA:2322] [KO:K05092]
  Pathway
hsa04110  Cell cycle
hsa04151  PI3K-Akt signaling pathway
hsa04640  Hematopoietic cell lineage
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK1
     D11600  Zotiraciclib citrate (USAN9
    CDK2
     D11600  Zotiraciclib citrate (USAN9
    CDK7
     D11600  Zotiraciclib citrate (USAN9
    CDK9
     D11600  Zotiraciclib citrate (USAN9
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FLT3 (CD135)
     D11600  Zotiraciclib citrate (USAN9
  Non-receptor tyrosine kinases
   JAK family
    JAK2
     D11600  Zotiraciclib citrate (USAN9
BRITE hierarchy
Other DBs
CAS: 1204918-73-9
LinkDB All DBs
KCF data Show

ATOM        41
            1   C8y C    18.6375  -18.6375
            2   C8x C    18.6375  -20.0388
            3   C8x C    19.8286  -20.7395
            4   C8x C    21.0898  -20.0388
            5   C8y C    21.0898  -18.6375
            6   C8x C    19.8286  -17.9368
            7   N2x N    22.2809  -17.9368
            8   C8y C    22.2809  -16.5355
            9   N5x N    23.4720  -15.8349
            10  C8x C    23.4720  -14.4335
            11  C8x C    22.2809  -13.7329
            12  C8y C    21.0898  -14.3635
            13  N4x N    21.0898  -15.8349
            14  C8y C    19.8987  -13.7329
            15  C8x C    19.8987  -12.3316
            16  C8x C    18.6375  -11.6309
            17  C8x C    17.4464  -12.3316
            18  C8y C    17.4464  -13.7329
            19  C8x C    18.6375  -14.4335
            20  O2x O    16.1852  -14.4335
            21  C1x C    14.9941  -13.7329
            22  C1x C    13.8029  -14.4335
            23  C2x C    13.8029  -15.8349
            24  C2x C    15.0641  -16.5355
            25  C1x C    15.0641  -17.9368
            26  N1y N    16.2552  -18.6375
            27  C1x C    17.4464  -17.9368
            28  C1a C    16.2552  -20.0388
            29  C1d C    29.1421  -16.1751
            30  C1b C    28.0130  -16.8808
            31  C1b C    30.3417  -16.8808
            32  C6a C    29.8477  -15.0461
            33  O1a O    28.4364  -15.0461
            34  C6a C    26.8134  -16.2457
            35  C6a C    30.3417  -18.2920
            36  O6a O    29.1421  -13.8465
            37  O6a O    31.3296  -15.0461
            38  O6a O    25.5433  -16.9513
            39  O6a O    26.8134  -14.9049
            40  O6a O    31.6824  -19.0683
            41  O6a O    29.1421  -19.0683
BOND        43
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 1
            15   12  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   18  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27   1 1
            31   26  28 1
            32   29  30 1
            33   29  31 1
            34   29  32 1
            35   29  33 1
            36   30  34 1
            37   31  35 1
            38   32  36 1
            39   32  37 2
            40   34  38 1
            41   34  39 2
            42   35  40 1
            43   35  41 2

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