KEGG   DRUG: RupintrivirHelp
Entry
D05776                      Drug                                   

Name
Rupintrivir (USAN/INN)
Formula
C31H39FN4O7
Exact mass
598.2803
Mol weight
598.6624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiviral, Protease inhibitor
Comment
Treatment of the common cold (human rhinovirus 3C protease inhibitor)
Target
human rhinovirus (HRV) 3C protease
Brite
Antiinfectives [BR:br08307]
 Antivirals
  Anti-HRV agent
   HRV 3C protease inhibitor
    Rupintrivir
     D05776  Rupintrivir (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
223537-30-2
PubChem: 
ChEMBL: 
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