KEGG   DRUG: Doxecitine
Entry
D12465                      Drug                                   
Name
Doxecitine (USAN/INN)
Formula
C9H13N3O4
Exact mass
227.0906
Mol weight
227.22
Structure
Remark
Same as: C00881
Efficacy
Methabolic disease therapeutic agent
Comment
Treatment of thymidine kinase 2 deficiency
Target
TK2 [HSA:7084] [KO:K00857]
  Pathway
hsa00240  Pyrimidine metabolism
hsa00983  Drug metabolism - other enzymes
hsa01232  Nucleotide metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    TK2
     D12465  Doxecitine (USAN/INN)
Other DBs
CAS: 951-77-9
PubChem: 497620878
PDB-CCD: DCZ[PDBj]
LinkDB
KCF data

ATOM        16
            1   C1y C    16.1728  -18.9724
            2   N4y N    17.5030  -18.4123
            3   O2x O    14.9826  -18.2023
            4   C1x C    15.6827  -20.3026
            5   C8y C    18.7632  -19.1124
            6   C8x C    17.5030  -17.0121
            7   C1y C    13.8624  -18.9724
            8   C1y C    14.2825  -20.3026
            9   N5x N    19.9533  -18.4123
            10  O5x O    18.7632  -20.5127
            11  C8x C    18.6932  -16.3120
            12  C1b C    12.5322  -18.5524
            13  O1a O    13.5124  -21.4228
            14  C8y C    19.9533  -17.0121
            15  O1a O    11.5521  -19.5325
            16  N1a N    21.1435  -16.3120
BOND        17
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1 #Up
            12    8  13 1 #Down
            13    9  14 2
            14   12  15 1
            15   14  16 1
            16    7   8 1
            17   11  14 1

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