KEGG   DRUG: Piragliatin
Entry
D08970                      Drug                                   
Name
Piragliatin (USAN)
Formula
C19H20ClN3O4S
Exact mass
421.0863
Mol weight
421.90
Structure
Efficacy
Antidiabetic, Glucokinase activator
Comment
Treatment of type 2 diadetes
Target
GCK [HSA:2645] [KO:K12407]
  Pathway
hsa00010  Glycolysis / Gluconeogenesis
hsa04930  Type II diabetes mellitus
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    GCK
     D08970  Piragliatin (USAN)
Other DBs
CAS: 625114-41-2
PubChem: 96025653
ChEBI: 230673
PDB-CCD: 2N8[PDBj]
LigandBox: D08970
LinkDB
KCF data

ATOM        28
            1   C8y C    15.8900  -15.1900
            2   C8y C    15.8900  -16.5900
            3   C8x C    17.1024  -17.2900
            4   C8y C    18.3149  -16.5900
            5   C8x C    18.3149  -15.1900
            6   C8x C    17.1024  -14.4900
            7   C1c C    19.5524  -17.2900
            8   C5a C    20.7649  -16.5900
            9   N1b N    21.9773  -17.2900
            10  C8y C    23.1897  -16.5900
            11  N5x N    24.3873  -17.2815
            12  C8x C    25.5998  -16.5816
            13  C8x C    25.5999  -15.1816
            14  N5x N    24.4024  -14.4901
            15  C8x C    23.1899  -15.1900
            16  O5a O    20.7649  -15.1902
            17  C1b C    19.5586  -18.6897
            18  S4a S    14.6776  -14.4900
            19  C1a C    13.4652  -13.7900
            20  O3c O    15.3830  -13.2679
            21  O3c O    13.9834  -15.6927
            22  C1y C    20.7525  -19.3723
            23  C1x C    20.9066  -20.7775
            24  C1x C    22.2907  -21.0652
            25  C5x C    22.9920  -19.8378
            26  C1x C    22.0414  -18.7915
            27  O5x O    24.3547  -19.8277
            28  X   Cl   14.6776  -17.2900
BOND        30
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17    8  16 2
            18    7  17 1 #Down
            19    1  18 1
            20   18  19 1
            21   18  20 2
            22   18  21 2
            23   17  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   22  26 1
            29   25  27 2
            30    2  28 1

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