KEGG   DRUG: Seglitide acetate
Entry
D05812                      Drug                                   

Name
Seglitide acetate (USAN)
Formula
C44H56N8O7. C2H4O2
Exact mass
868.4483
Mol weight
869.0168
Structure
Class
Antidiabetic agent
 DG02044  Hypoglycemics
Efficacy
Antidiabetic, Somatostatin receptor antagonist
Comment
somatostatin analog
Target
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Somatostatin
    SSTR
     D05812  Seglitide acetate (USAN)
Other DBs
CAS: 99248-33-6
PubChem: 47207473
ChEMBL: CHEMBL2103887
LigandBox: D05812
LinkDB
KCF data

ATOM        63
            1   C1y C    20.9714  -17.6822
            2   C5x C    20.9714  -19.0860
            3   O5x O    22.1872  -19.7880
            4   O5x O    23.4030  -19.0860
            5   C5x C    23.4030  -17.6822
            6   N1y N    22.1872  -16.9803
            7   O5x O    24.6187  -19.7880
            8   C5x C    25.8344  -19.0860
            9   N1x N    25.8344  -17.6822
            10  C1y C    24.6187  -16.9803
            11  N1x N    19.7557  -19.7880
            12  C1y C    19.7557  -21.1918
            13  C5x C    20.9714  -21.8937
            14  O5x O    22.1872  -21.1918
            15  N1x N    20.9714  -23.2975
            16  C1y C    22.1872  -23.9995
            17  C5x C    23.4030  -23.2975
            18  O5x O    23.4030  -21.8937
            19  N1x N    24.6187  -23.9995
            20  C1y C    25.8344  -23.2975
            21  C5x C    25.8344  -21.8937
            22  O5x O    24.6187  -21.1918
            23  N1x N    27.0502  -21.1918
            24  C1y C    27.0502  -19.7880
            25  C1c C    28.2867  -19.0738
            26  C1a C    29.4962  -19.7719
            27  C1a C    28.2864  -17.6823
            28  C1b C    27.0353  -23.9909
            29  C1b C    28.2269  -23.3031
            30  C1b C    29.4209  -23.9925
            31  C1b C    30.6138  -23.3039
            32  N1a N    31.8071  -23.9929
            33  C1b C    22.1872  -25.4031
            34  C8y C    20.9546  -26.1149
            35  C8y C    19.6826  -25.5486
            36  C8y C    18.7510  -26.5833
            37  N4x N    19.4472  -27.7891
            38  C8x C    20.8091  -27.4996
            39  C8x C    19.2488  -24.2135
            40  C8x C    17.8757  -23.9216
            41  C8x C    16.9440  -24.9564
            42  C8x C    17.3778  -26.2915
            43  C1b C    18.5569  -21.8841
            44  C8y C    17.3663  -21.1967
            45  C8x C    17.3662  -19.7882
            46  C8x C    16.1504  -19.0863
            47  C8y C    14.9346  -19.7884
            48  C8x C    14.9348  -21.1969
            49  C8x C    16.1507  -21.8987
            50  O1a O    13.7188  -19.0866
            51  C1a C    19.7557  -16.9803
            52  C1a C    22.1872  -15.5766
            53  C1b C    24.6187  -15.5764
            54  C8y C    25.8365  -14.8733
            55  C8x C    27.0363  -15.5662
            56  C8x C    28.2521  -14.8644
            57  C8x C    28.2522  -13.4606
            58  C8x C    27.0524  -12.7678
            59  C8x C    25.8366  -13.4695
            60  C6a C    37.0300  -21.2800
            61  C1a C    38.2424  -21.9800
            62  O6a O    35.8176  -21.9800
            63  O6a O    37.0300  -19.8800
BOND        66
            1     1   2 1
            2     2   3 2
            3     4   5 2
            4     5   6 1
            5     1   6 1
            6     7   8 2
            7     8   9 1
            8     9  10 1
            9     5  10 1
            10    2  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 2
            22   21  23 1
            23   23  24 1
            24   24   8 1
            25   24  25 1 #Down
            26   25  26 1
            27   25  27 1
            28   20  28 1 #Down
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   16  33 1 #Up
            34   33  34 1
            35   34  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   34  38 2
            40   35  39 2
            41   39  40 1
            42   40  41 2
            43   41  42 1
            44   36  42 2
            45   12  43 1 #Down
            46   43  44 1
            47   44  45 2
            48   45  46 1
            49   46  47 2
            50   47  48 1
            51   48  49 2
            52   44  49 1
            53   47  50 1
            54    1  51 1 #Down
            55    6  52 1
            56   10  53 1 #Down
            57   53  54 1
            58   54  55 2
            59   55  56 1
            60   56  57 2
            61   57  58 1
            62   58  59 2
            63   54  59 1
            64   60  61 1
            65   60  62 1
            66   60  63 2

» Japanese version   » Back

DBGET integrated database retrieval system