KEGG   DRUG: Tizaterkib
Entry
D12921                      Drug                                   
Name
Tizaterkib (USAN/INN)
Formula
C24H24F2N8O2
Exact mass
494.1990
Mol weight
494.50
Structure
Remark
Chemical structure group: DG03312
Efficacy
Antineoplastic, Extracellular signal-regulated kinase inhibitor
Target
ERK [HSA:5594 5595] [KO:K04371]
  Pathway
hsa04010  MAPK signaling pathway
hsa04014  Ras signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    ERK
     D12921  Tizaterkib (USAN/INN)
Other DBs
CAS: 2097416-76-5
PubChem: 497621334
PDB-CCD: LHZ[PDBj]
KCF data

ATOM        36
            1   N1y N    14.0700  -13.7200
            2   C1y C    14.0700  -15.1200
            3   C1x C    15.2824  -15.8200
            4   N4y N    16.4949  -15.1200
            5   C8y C    16.4949  -13.7200
            6   C5x C    15.2824  -13.0200
            7   C8x C    17.8264  -15.5526
            8   C8y C    18.6493  -14.4200
            9   N5x N    17.8264  -13.2874
            10  O5x O    15.2824  -11.6202
            11  C1b C    12.8576  -13.0200
            12  C8y C    11.6621  -13.7104
            13  C8x C    10.4747  -13.0249
            14  C8y C     9.2623  -13.7250
            15  C8y C     9.2624  -15.1250
            16  C8x C    10.4497  -15.8104
            17  C8x C    11.6621  -15.1104
            18  X   F     8.0355  -15.8336
            19  X   F     8.0310  -13.0140
            20  C1b C    12.8576  -15.8200
            21  O2a O    12.8576  -17.2200
            22  C1a C    11.6621  -17.9104
            23  C8y C    20.0200  -14.4200
            24  N5x N    20.7200  -15.6324
            25  C8y C    22.1200  -15.6324
            26  N5x N    22.8200  -14.4200
            27  C8x C    22.1200  -13.2076
            28  C8y C    20.7200  -13.2076
            29  C1a C    20.0296  -12.0121
            30  N1b N    22.8104  -16.8279
            31  C8y C    24.2197  -16.8280
            32  N4y N    25.0296  -17.9422
            33  N5x N    26.3395  -17.5163
            34  C8x C    26.3393  -16.1389
            35  C8x C    25.0292  -15.7134
            36  C1a C    24.6071  -19.2447
BOND        40
            1     1   2 1
            2     3   2 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    6  10 2
            12    1  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1
            21   14  19 1
            22    2  20 1 #Down
            23   20  21 1
            24   21  22 1
            25    8  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   28  29 1
            33   25  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   31  35 2
            40   32  36 1

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Chemical substance (2)   
   PubChem (1)   
   PDB-CCD (1)   
All databases (2)   

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