KEGG   DRUG: D09604Help
Entry
D09604                      Drug                                   

Name
Dinaciclib (USAN/INN)
Formula
C21H28N6O2
Exact mass
396.2274
Mol weight
396.486
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cancer
Target
cyclin-dependent kinase 1 (CDK1) inhibitor [HSA:983] [KO:K02087];
cyclin-dependent kinase 2 (CDK2) inhibitor [HSA:1017] [KO:K02206];
cyclin-dependent kinase 5 (CDK5) inhibitor [HSA:1020] [KO:K02090];
cyclin-dependent kinase 9 (CDK9) inhibitor [HSA:1025] [KO:K02211]
  Pathway
hsa04110  Cell cycle
hsa04115  p53 signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: CMGC group
   CDK family
    cyclin-dependent kinase 1 (CDK1) [HSA:983] [KO:K02087]
     Dinaciclib
      D09604  Dinaciclib (USAN/INN)
    cyclin-dependent kinase 2 (CDK2) [HSA:1017] [KO:K02206]
     Dinaciclib
      D09604  Dinaciclib (USAN/INN)
    cyclin-dependent kinase 5 (CDK5) [HSA:1020] [KO:K02090]
     Dinaciclib
      D09604  Dinaciclib (USAN/INN)
    cyclin-dependent kinase 9 (CDK9) [HSA:1025] [KO:K02211]
     Dinaciclib
      D09604  Dinaciclib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
779353-01-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C1x C    16.2400  -25.3400
            2   C1x C    16.2400  -26.7400
            3   C1x C    17.4300  -27.4400
            4   C1y C    18.6900  -26.7400
            5   N1y N    18.6900  -25.3400
            6   C1x C    17.4300  -24.6400
            7   C8y C    19.8800  -24.6400
            8   C1b C    19.8800  -27.4400
            9   C1b C    21.0700  -26.7400
            10  O1a O    22.2600  -27.4400
            11  C8x C    21.0700  -25.3400
            12  C8y C    22.3300  -24.6400
            13  N4y N    22.3300  -23.2400
            14  C8y C    21.1400  -22.5400
            15  N5x N    19.8800  -23.2400
            16  N5x N    23.3800  -22.2600
            17  C8x C    22.7500  -21.0000
            18  C8y C    21.4200  -21.1400
            19  N1b N    23.5200  -25.3400
            20  C1b C    24.7100  -24.6400
            21  C8y C    25.9000  -25.3400
            22  C8x C    25.9000  -26.7400
            23  C8x C    27.1600  -27.4400
            24  C8x C    28.3500  -26.7400
            25  N5y N    28.3500  -25.3400 #+
            26  C8x C    27.1600  -24.6400
            27  C1b C    20.2300  -20.4400
            28  C1a C    19.0400  -21.1400
            29  O3a O    29.8453  -24.3649 #-
BOND        32
            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     5   7 1
            8     4   8 1 #Down
            9     8   9 1
            10    9  10 1
            11    7  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    7  15 2
            17   13  16 1
            18   16  17 2
            19   17  18 1
            20   14  18 2
            21   12  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   27  18 1
            31   27  28 1
            32   25  29 1

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