KEGG   DRUG: Isepamicin
Entry
D02545                      Drug                                   

Name
Isepamicin (USAN/INN)
Formula
C22H43N5O12
Exact mass
569.2908
Mol weight
569.6031
Structure
Simcomp
Class
Antibacterial
 DG01447  Aminoglycoside antibiotic
Remark
ATC code: J01GB11
Chemical structure group: DG00613
Product (DG00613): D01826<JP>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07021  Aminoglycosides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01G AMINOGLYCOSIDE ANTIBACTERIALS
    J01GB Other aminoglycosides
     J01GB11 Isepamicin
      D02545  Isepamicin (USAN/INN)
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Aminoglycoside
    D02545  Isepamicin (USAN/INN)
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Aminoglycoside
    DG00613  Isepamicin
Other DBs
CAS: 58152-03-7
PubChem: 17396716
ChEMBL: CHEMBL1159615 CHEMBL1652298 CHEMBL272080
LigandBox: D02545
NIKKAJI: J22.232A
LinkDB
KCF data

ATOM        39
            1   C1y C    37.2107  -12.0591
            2   C1y C    37.2107  -10.6570
            3   C1y C    36.0189   -9.9559
            4   C1y C    34.7570  -10.6570
            5   C1y C    34.7570  -12.0591
            6   O2x O    36.0189  -12.7601
            7   O2a O    33.5652  -12.7601
            8   C1y C    33.5652  -14.1622
            9   C1y C    32.3734  -14.8633
            10  C1y C    32.3734  -16.2654
            11  C1y C    33.5652  -16.9665
            12  C1x C    34.7570  -16.2654
            13  C1y C    34.7570  -14.8633
            14  O2a O    31.1115  -16.9665
            15  C1b C    38.4025  -12.7601
            16  O1a O    33.5652   -9.9559
            17  N1a N    36.0189  -14.1622
            18  N1b N    33.5652  -18.3686
            19  O1a O    31.1115  -14.1622
            20  N1a N    38.4025  -14.1622
            21  C1y C    29.8415  -16.3554
            22  O2x O    29.7889  -14.9737
            23  C1x C    28.5180  -14.2893
            24  C1z C    27.3374  -15.0456
            25  C1y C    27.3899  -16.4273
            26  C1y C    28.6609  -17.1117
            27  O1a O    28.7134  -18.4934
            28  O1a O    26.2222  -14.3446
            29  N1b N    26.2092  -17.1836
            30  C1a C    24.9761  -16.5582
            31  O1a O    38.4025   -9.9559
            32  O1a O    36.0189   -8.5538
            33  C5a C    34.7794  -19.0696
            34  C1c C    35.9938  -18.3686
            35  C1b C    37.2080  -19.0696
            36  N1a N    38.4222  -18.3686
            37  O5a O    34.7794  -20.4715
            38  O1a O    35.9938  -16.9667
            39  C1a C    27.3374  -13.4356
BOND        41
            1     8   9 1
            2     9  10 1
            3    10  11 1
            4    21  22 1
            5    22  23 1
            6    23  24 1
            7    24  25 1
            8    25  26 1
            9    26  21 1
            10   11  12 1
            11   26  27 1 #Down
            12   12  13 1
            13   13   8 1
            14   24  28 1 #Up
            15    6   1 1
            16   25  29 1 #Up
            17   10  14 1 #Down
            18   29  30 1
            19    1  15 1 #Up
            20    5   7 1 #Down
            21    4  16 1 #Down
            22   13  17 1 #Up
            23    8   7 1 #Down
            24    2  31 1 #Down
            25   11  18 1 #Up
            26    3  32 1 #Up
            27    1   2 1
            28    9  19 1 #Up
            29    2   3 1
            30   15  20 1
            31    3   4 1
            32   21  14 1 #Down
            33    4   5 1
            34    5   6 1
            35   18  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   33  37 2
            40   34  38 1 #Up
            41   24  39 1 #Down

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KEGG   DRUG: Isepamicin sulfate
Entry
D01826                      Drug                                   

Name
Isepamicin sulfate (JP18);
Isepacin (TN)
Formula
C22H43N5O12. xH2SO4
Structure
Simcomp
Class
Antibacterial
 DG01447  Aminoglycoside antibiotic
Remark
Therapeutic category: 6123
ATC code: J01GB11
Chemical structure group: DG00613
Product (DG00613): D01826<JP>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07021  Aminoglycosides
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01G AMINOGLYCOSIDE ANTIBACTERIALS
    J01GB Other aminoglycosides
     J01GB11 Isepamicin
      D01826  Isepamicin sulfate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   612  Acting mainly on gram-negative bacteria
    6123  Amino sugars
     D01826  Isepamicin sulfate (JP18)
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Aminoglycoside
    D01826  Isepamicin sulfate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01826  Isepamicin sulfate
  D01826  Isepamicin sulfate injection
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Aminoglycoside
    DG00613  Isepamicin
Other DBs
CAS: 67814-76-0
PubChem: 7848888
ChEBI: 31722
ChEMBL: CHEMBL3185832
LigandBox: D01826
NIKKAJI: J245.543I
LinkDB
KCF data

ATOM        44
            1   S4a S    39.5251  -14.9690
            2   O1d O    40.9206  -14.9690
            3   O1d O    38.1296  -14.9621
            4   O1d O    39.5180  -16.3644
            5   O1d O    39.5180  -13.5735
            6   C1y C    33.2500  -13.0900
            7   C1y C    33.2500  -11.6900
            8   C1y C    32.0600  -10.9900
            9   C1y C    30.8000  -11.6900
            10  C1y C    30.8000  -13.0900
            11  O2x O    32.0600  -13.7900
            12  O2a O    29.6100  -13.7900
            13  C1y C    29.6100  -15.1900
            14  C1y C    28.3500  -15.8900
            15  C1y C    28.3500  -17.2900
            16  C1y C    29.6100  -17.9900
            17  C1x C    30.8000  -17.2900
            18  C1y C    30.8000  -15.8900
            19  O2a O    27.0900  -17.9900
            20  C1b C    34.4400  -13.7900
            21  O1a O    29.6100  -10.9900
            22  N1a N    32.0600  -15.1900
            23  N1b N    29.6100  -19.3900
            24  O1a O    27.0900  -15.1900
            25  N1a N    34.4400  -15.1900
            26  C1y C    25.8300  -17.4300
            27  O2x O    25.8300  -16.0300
            28  C1x C    24.5000  -15.3300
            29  C1z C    23.3800  -16.1000
            30  C1y C    23.3800  -17.5000
            31  C1y C    24.6400  -18.1300
            32  O1a O    24.7100  -19.5300
            33  O1a O    22.2600  -15.4000
            34  N1b N    22.1900  -18.2000
            35  C1a C    21.0000  -17.6400
            36  O1a O    34.4400  -10.9900
            37  O1a O    32.0600   -9.5900
            38  C5a C    30.8000  -20.0900
            39  C1c C    31.9900  -19.3900
            40  C1b C    33.2500  -20.0900
            41  N1a N    34.4400  -19.3900
            42  O5a O    30.8000  -21.4900
            43  O1a O    31.9900  -17.9900
            44  C1a C    23.3800  -14.4900
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5    13  14 1
            6    14  15 1
            7    15  16 1
            8    26  27 1
            9    27  28 1
            10   28  29 1
            11   29  30 1
            12   30  31 1
            13   31  26 1
            14   16  17 1
            15   31  32 1 #Down
            16   17  18 1
            17   18  13 1
            18   29  33 1 #Up
            19   11   6 1
            20   30  34 1 #Up
            21   15  19 1 #Down
            22   34  35 1
            23    6  20 1 #Up
            24   10  12 1 #Down
            25    9  21 1 #Down
            26   18  22 1 #Up
            27   13  12 1 #Down
            28    7  36 1 #Down
            29   16  23 1 #Up
            30    8  37 1 #Up
            31    6   7 1
            32   14  24 1 #Up
            33    7   8 1
            34   20  25 1
            35    8   9 1
            36   26  19 1 #Down
            37    9  10 1
            38   10  11 1
            39   23  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   38  42 2
            44   39  43 1 #Up
            45   29  44 1 #Down
BRACKET     1    36.6800  -17.3600   36.6800  -12.6000
            1    42.1400  -12.6000   42.1400  -17.3600
            1  x
 ORIGINAL  1    1   2   3   4   5
 REPEAT    1

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