KEGG   DRUG: D04537Help
Entry
D04537                      Drug                                   

Name
Ingliforib (USAN/INN)
Formula
C23H24ClN3O5
Exact mass
457.1404
Mol weight
457.9068
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of type 2 diabetes mellitus [glycogen phosphorylase inhibitor]
Target
glycogen phosphorylase inhibitor [HSA:5834 5836 5837] [KO:K00688]
  Pathway
hsa00500  Starch and sucrose metabolism
hsa04910  Insulin signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   glycogen phosphorylase
    Ingliforib
     D04537  Ingliforib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
186392-65-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8y C    24.0158  -14.3861
            2   C8x C    24.0158  -15.7952
            3   C8x C    25.2360  -16.4997
            4   C8y C    26.4564  -15.7952
            5   C8y C    26.4564  -14.3861
            6   C8x C    25.2360  -13.6816
            7   N4x N    27.7965  -16.2306
            8   C8y C    28.6247  -15.0907
            9   C8x C    27.7965  -13.9507
            10  X   Cl   22.7955  -13.6816
            11  C5a C    30.0043  -15.0907
            12  O5a O    30.7088  -16.3109
            13  N1b N    30.7088  -13.8704
            14  C1c C    32.1177  -13.8704
            15  C1c C    32.8321  -15.1076
            16  C5a C    34.2314  -15.1074
            17  N1y N    34.9289  -16.3151
            18  O5a O    34.9431  -13.8744
            19  C1x C    34.5198  -17.6348
            20  C1y C    35.6483  -18.4323
            21  C1y C    36.7554  -17.6055
            22  C1x C    36.3113  -16.2970
            23  C1b C    32.8127  -12.6671
            24  C8y C    32.1227  -11.4722
            25  C8x C    32.8152  -10.2731
            26  C8x C    32.1107   -9.0527
            27  C8x C    30.7016   -9.0526
            28  C8x C    30.0092  -10.2517
            29  C8x C    30.7137  -11.4721
            30  O1a O    32.1326  -16.3193
            31  O1a O    35.6671  -19.8079
            32  O1a O    38.0813  -18.0178
BOND        35
            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 2
            10    5   9 1
            11    1  10 1
            12    8  11 1
            13   11  12 2
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   14  23 1 #Up
            33   15  30 1 #Down
            34   20  31 1 #Down
            35   21  32 1 #Down

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