| Entry |
|
|---|
| Name |
Ibuzatrelvir (USAN) |
|---|
| Formula |
C21H30F3N5O5
|
|---|
| Exact mass |
489.2199
|
|---|
| Mol weight |
489.4886
|
|---|
| Structure |
|
|---|
| Class |
Antiviral
DG03174 Anti-SARS-CoV-2 agent
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Treatment of COVID-19
|
|---|
| Target |
SARS coronavirus 3C-like proteinase [KO: K25015] |
|---|
| Pathway |
| ko05171 | Coronavirus disease - COVID-19 |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03174 Anti-SARS-CoV-2 agent
D12726 Ibuzatrelvir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
SARS-CoV 3C protease inhibitor
D12726 Ibuzatrelvir (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 N1y N 16.9289 -15.8096
2 C1x C 15.8096 -14.9702
3 C1y C 16.2293 -13.6410
4 C1x C 17.6284 -13.6410
5 C1y C 18.0481 -14.9702
6 C5a C 19.2373 -15.6697
7 N1b N 20.4266 -14.9702
8 O5a O 19.2373 -17.0688
9 C1c C 21.6158 -15.6697
10 C1b C 22.8750 -14.9702
11 C3b C 21.6158 -17.0688
12 N3a N 21.6158 -18.4679
13 C1y C 24.0642 -15.6697
14 C5x C 24.2740 -17.0688
15 N1x N 25.6731 -17.3486
16 C1x C 26.3727 -16.0894
17 C1x C 25.3933 -15.0401
18 O5x O 23.2247 -17.9782
19 C5a C 16.9289 -17.2087
20 C1c C 15.7396 -17.9082
21 O5a O 18.1880 -17.9082
22 N1b N 14.5504 -17.2087
23 C1d C 15.7396 -19.3073
24 C1a C 14.5504 -20.0068
25 C1a C 16.9988 -20.0068
26 C1a C 15.7396 -20.7064
27 C7a C 13.3612 -17.9082
28 O7a O 12.1720 -17.2087
29 O6a O 13.3612 -19.3073
30 C1a C 10.9828 -17.9082
31 C1d C 15.4098 -12.5227
32 X F 14.4198 -11.5328
33 X F 14.4198 -13.5127
34 X F 16.3997 -11.5328
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1 #Up
7 6 7 1
8 6 8 2
9 9 7 1 #Up
10 9 10 1
11 9 11 1
12 11 12 3
13 13 10 1 #Down
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 13 17 1
19 14 18 2
20 1 19 1
21 19 20 1
22 19 21 2
23 20 22 1
24 20 23 1 #Down
25 23 24 1
26 23 25 1
27 23 26 1
28 22 27 1
29 27 28 1
30 27 29 2
31 28 30 1
32 3 31 1 #Down
33 31 32 1
34 31 33 1
35 31 34 1
|
|---|
