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KEGG   DRUG: Olgotrelvir
Entry
D12777                      Drug                                   
Name
Olgotrelvir (USAN)
Formula
C22H30N4O7S
Exact mass
494.1835
Mol weight
494.56
Structure
Class
Antiviral
 DG03174  Anti-SARS-CoV-2 agent
Remark
Chemical structure group: DG03293
Efficacy
Antiviral
Comment
Treatment of SARS-CoV-2 infection
Target
SARS coronavirus 3C-like proteinase [KO:K25015]
CTSL [HSA:1514] [KO:K01365]
  Pathway
hsa04140  Autophagy - animal
hsa04145  Phagosome
hsa04612  Antigen processing and presentation
ko03230  Viral genome structure
ko03262  Virion - Coronavirus
ko05171  Coronavirus disease - COVID-19
Brite
Drug groups [BR:br08330]
 Antiviral
  DG03174  Anti-SARS-CoV-2 agent
   DG03293  Olgotrelvir
    D12777  Olgotrelvir
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Cysteine peptidases
    CTSL
     D12777  Olgotrelvir (USAN)
Antimicrobials [BR:br08307]
 Antivirals
  Polyprotein cleavage inhibitor
   SARS-CoV 3C protease inhibitor
    D12777  Olgotrelvir (USAN)
Drug groups [BR:br08330]
 Antiviral
  DG03174  Anti-SARS-CoV-2 agent
   DG03293  Olgotrelvir
Other DBs
CAS: 2763596-71-8
PubChem: 497621190
LinkDB
KCF data

ATOM        34
            1   N1b N    32.3546  -35.6432
            2   C1c C    33.5456  -34.9426
            3   C5a C    34.8067  -35.6432
            4   N1b N    35.9978  -34.9426
            5   O5a O    34.8067  -37.0444
            6   C1b C    33.5456  -33.5414
            7   C1c C    34.8067  -32.8408
            8   C1a C    35.9978  -33.5414
            9   C1a C    34.8067  -31.3695
            10  C5a C    32.3546  -37.0444
            11  C8y C    31.1635  -37.7451
            12  O5a O    33.5456  -37.7451
            13  C8x C    31.0234  -39.0762
            14  C8y C    29.6922  -39.3565
            15  C8y C    28.9916  -38.1654
            16  N4x N    29.9024  -37.1846
            17  C8x C    29.0617  -40.6176
            18  C8x C    27.5904  -40.6176
            19  C8x C    26.8898  -39.3565
            20  C8x C    27.5904  -38.1654
            21  C1c C    37.1888  -35.6432
            22  C1c C    37.1888  -37.0444
            23  C1b C    38.4499  -34.9426
            24  C1y C    39.6409  -35.6432
            25  C5x C    40.1314  -36.9744
            26  N1x N    41.5326  -36.9744
            27  C1x C    41.9530  -35.6432
            28  C1x C    40.8320  -34.8025
            29  O5x O    39.2906  -38.0954
            30  O1a O    38.3798  -37.7451
            31  S4a S    35.9978  -37.7451
            32  O1d O    35.9978  -39.1451
            33  O1d O    34.7853  -38.4451
            34  O1d O    37.2102  -38.4451
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     2   6 1 #Up
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     1  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 2
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   11  16 1
            17   14  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   15  20 2
            22   21   4 1 #Up
            23   21  22 1
            24   21  23 1
            25   24  23 1 #Down
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   24  28 1
            31   25  29 2
            32   22  30 1
            33   22  31 1
            34   31  32 1
            35   31  33 2
            36   31  34 2

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