KEGG   DRUG: D05776Help
Entry
D05776                      Drug                                   

Name
Rupintrivir (USAN/INN)
Formula
C31H39FN4O7
Exact mass
598.2803
Mol weight
598.6624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral intended for use in the treatment of the common cold [human rhinovirus 3C protease inhibitor]
Target
human rhinovirus (HRV) 3C protease inhibitor
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Others
   Anti-HRV agent
    HRV 3C protease inhibitor
     Rupintrivir
      D05776  Rupintrivir (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
223537-30-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        43
            1   C8y C    25.4021  -17.4781
            2   C5a C    26.5946  -16.7766
            3   N1b N    27.8574  -17.4781
            4   C1c C    29.0500  -16.7766
            5   C5a C    30.2426  -17.4781
            6   C1b C    31.5053  -16.7766
            7   C1c C    32.6979  -17.4781
            8   C5a C    33.8905  -16.7766
            9   C8x C    25.4113  -18.8891
            10  C8y C    24.0466  -19.3192
            11  O2x O    23.2208  -18.2090
            12  N5x N    24.0839  -17.0571
            13  C1a C    23.6246  -20.6350
            14  O5a O    26.5946  -15.3736
            15  C1c C    29.0500  -15.3736
            16  C1a C    30.2426  -14.6720
            17  C1a C    27.8574  -14.6720
            18  O5a O    30.2426  -18.8812
            19  C1b C    32.6979  -18.8812
            20  C8y C    33.8905  -19.5827
            21  N1b N    35.0831  -17.4781
            22  O5a O    33.8905  -15.3736
            23  C1c C    36.2757  -16.7766
            24  C1b C    37.4683  -17.4781
            25  C1y C    38.6609  -16.7766
            26  C1x C    39.1008  -15.4404
            27  C1x C    40.5314  -15.4645
            28  N1x N    40.9634  -16.7789
            29  C5x C    39.8486  -17.6133
            30  C2b C    36.2757  -15.3736
            31  C2b C    37.4683  -14.6720
            32  C7a C    37.4683  -13.2690
            33  O6a O    36.2757  -12.5674
            34  O7a O    38.6609  -12.5674
            35  C1b C    39.8535  -13.2690
            36  C1a C    41.0461  -12.5674
            37  C8x C    35.0831  -18.8812
            38  C8x C    36.3459  -19.5827
            39  C8y C    36.3459  -20.9858
            40  C8x C    35.1533  -21.6873
            41  C8x C    33.8905  -20.9858
            42  X   F    37.5385  -21.6873
            43  O5x O    39.8245  -19.0440
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     1   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12    1  12 2
            13   10  13 1
            14    2  14 2
            15    4  15 1 #Up
            16   15  16 1
            17   15  17 1
            18    5  18 2
            19    7  19 1 #Down
            20   19  20 1
            21    8  21 1
            22    8  22 2
            23   21  23 1
            24   23  24 1
            25   25  24 1 #Down
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   25  29 1
            31   23  30 1 #Down
            32   30  31 2
            33   31  32 1
            34   32  33 2
            35   32  34 1
            36   34  35 1
            37   35  36 1
            38   20  37 2
            39   37  38 1
            40   38  39 2
            41   39  40 1
            42   40  41 2
            43   20  41 1
            44   39  42 1
            45   29  43 2

» Japanese version   » Back

DBGET integrated database retrieval system