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KEGG   DRUG: Tagtociclib
Entry
D12601                      Drug                                   
Name
Tagtociclib (USAN)
Formula
C19H28N6O4
Exact mass
404.2172
Mol weight
404.46
Structure
Class
Antineoplastic
 DG03138  CDK inhibitor
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Target
CDK2 [HSA:1017] [KO:K02206]
  Pathway
hsa04110  Cell cycle
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   D12601  Tagtociclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK2
     D12601  Tagtociclib (USAN)
Other DBs
CAS: 2460249-19-6
PubChem: 497621014
LinkDB
KCF data

ATOM        29
            1   C8y C    16.8700  -14.8400
            2   C5a C    18.0600  -15.5400
            3   N1b N    19.2500  -14.8400
            4   O5a O    18.0600  -16.9400
            5   N4y N    16.3800  -13.5100
            6   N5x N    14.9800  -13.5100
            7   C8y C    14.6300  -14.9100
            8   C8x C    15.7500  -15.6800
            9   O2a O    12.2500  -14.9100
            10  C1b C    13.4400  -15.6100
            11  C1a C    11.0600  -15.6100
            12  C1a C    17.1500  -12.3900
            13  C8y C    20.4400  -15.5400
            14  N5x N    20.4400  -16.9400
            15  N4x N    21.7700  -17.4300
            16  C8y C    22.6100  -16.3100
            17  C8x C    21.8400  -15.1200
            18  C1y C    24.0100  -16.3100
            19  C1x C    24.8500  -17.4300
            20  C1y C    26.1800  -16.9400
            21  C1x C    26.1800  -15.5400
            22  C1x C    24.8500  -15.1200
            23  O7a O    27.3700  -17.6400
            24  C7a C    28.5600  -16.9400
            25  N1b N    29.7500  -17.6400
            26  O6a O    28.5600  -15.5400
            27  C1c C    30.9400  -16.9400
            28  C1a C    32.1300  -17.6400
            29  C1a C    30.9400  -15.5400
BOND        31
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     1   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     1   8 2
            9     9  10 1
            10   10   7 1
            11    9  11 1
            12    5  12 1
            13    3  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   13  17 1
            19   18  16 1 #Up
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   18  22 1
            25   20  23 1 #Up
            26   23  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 1
            30   27  28 1
            31   27  29 1

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