KEGG   DRUG: Gusperimus trihydrochloride
Entry
D01566                      Drug                                   
Name
Gusperimus trihydrochloride (USAN);
Gusperimus hydrochloride (JAN);
Spanidin (TN)
Formula
C17H37N7O3. 3HCl
Exact mass
495.2258
Mol weight
496.9036
Structure
Simcomp
Remark
Therapeutic category: 3999
ATC code: L04AA19
Chemical structure group: DG00740
Product (DG00740): D01566<JP>
Efficacy
Immunosuppressant
Comment
Spergualin [CPD:C16747] analog
Interaction
Structure map
map07046  Immunosuppressive agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA19 Gusperimus
      D01566  Gusperimus trihydrochloride (USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D01566  Gusperimus trihydrochloride (USAN); Gusperimus hydrochloride (JAN)
Other DBs
CAS: 85468-01-5
PubChem: 7848629
ChEBI: 31661
LigandBox: D01566
NIKKAJI: J1.927.958H
LinkDB
KCF data

ATOM        30
            1   C1b C    24.7376  -16.3216
            2   C1b C    25.9533  -17.0196
            3   C1b C    27.1616  -16.3216
            4   C1b C    28.3699  -17.0120
            5   C1b C    29.5782  -16.3141
            6   C1b C    30.7939  -17.0046
            7   N1b N    32.0022  -16.3067
            8   C2c C    33.2106  -16.9971
            9   N1a N    34.4188  -16.2991
            10  N2a N    33.2139  -18.4005
            11  C5a C    23.5252  -17.0255
            12  N1b N    22.3094  -16.3276
            13  O5a O    23.5286  -18.4273
            14  C1c C    22.3060  -14.9257
            15  O1a O    21.0903  -14.2278
            16  C5a C    23.5184  -14.2219
            17  O5a O    23.5148  -12.8198
            18  N1b N    24.7342  -14.9198
            19  C1b C    25.9463  -14.2157
            20  C1b C    27.1621  -14.9137
            21  C1b C    28.3744  -14.2098
            22  C1b C    29.5902  -14.9077
            23  N1b N    30.8026  -14.2038
            24  C1b C    32.0184  -14.9018
            25  C1b C    33.2308  -14.1979
            26  C1b C    34.4466  -14.8958
            27  N1a N    35.6589  -14.1920
            28  X   Cl   39.9885  -15.5623
            29  X   Cl   39.9885  -15.5623
            30  X   Cl   39.9885  -15.5623
BOND        26
            1    12  14 1
            2     1   2 1
            3    14  15 1
            4     2   3 1
            5    14  16 1
            6     3   4 1
            7    16  17 2
            8     4   5 1
            9    16  18 1
            10    5   6 1
            11   18  19 1
            12    6   7 1
            13   19  20 1
            14    7   8 1
            15   20  21 1
            16    8   9 1
            17   21  22 1
            18    8  10 2
            19   22  23 1
            20   23  24 1
            21    1  11 1
            22   24  25 1
            23   25  26 1
            24   11  12 1
            25   26  27 1
            26   11  13 2
BRACKET     1    38.3600  -16.3100   38.3600  -14.7700
            1    40.8100  -14.7700   40.8100  -16.3100
            1  3
 ORIGINAL  1   28
 REPEAT    1   29  30

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