| Entry |
|
|---|
| Name |
Pomotrelvir (USAN/INN) |
|---|
| Formula |
C23H26ClN5O3
|
|---|
| Exact mass |
455.1724
|
|---|
| Mol weight |
455.9372
|
|---|
| Structure |
|
|---|
| Class |
Antiviral
DG03174 Anti-SARS-CoV-2 agent
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Prevention and 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
D12522 Pomotrelvir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
SARS-CoV 3C protease inhibitor
D12522 Pomotrelvir (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 10.3600 -12.2500
2 N4x N 9.1000 -11.6900
3 C8y C 8.1200 -12.7400
4 C8y C 8.8200 -13.9300
5 C8x C 10.2200 -13.6500
6 C8y C 6.7200 -12.7400
7 C8x C 6.0200 -13.9300
8 C8x C 6.7200 -15.1200
9 C8x C 8.1200 -15.1200
10 X Cl 6.0900 -11.4800
11 C5a C 11.5500 -11.5500
12 O5a O 12.7400 -12.2500
13 N1b N 11.5500 -10.1500
14 C1c C 12.7400 -9.4500
15 C5a C 13.9300 -10.1500
16 C1b C 12.7400 -8.0500
17 C1y C 13.9300 -7.3500
18 C1x C 15.3300 -7.3500
19 C1x C 14.6300 -6.1600
20 N1b N 15.1481 -9.4599
21 C1c C 16.3295 -10.1550
22 O5a O 13.9186 -11.5500
23 C1b C 17.5349 -9.4720
24 C1y C 18.7061 -10.1609
25 C5x C 18.6947 -11.5500
26 N1x N 19.9014 -12.2599
27 C1x C 21.1195 -11.5698
28 C1x C 21.1309 -10.1807
29 C1x C 19.9242 -9.4708
30 O5x O 17.4730 -12.2421
31 C3b C 16.3181 -11.5500
32 N3a N 16.3181 -12.9500
BOND 35
1 1 2 1
2 2 3 1
3 4 5 1
4 1 5 2
5 4 3 2
6 3 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 4 9 1
11 6 10 1
12 11 12 2
13 11 1 1
14 11 13 1
15 13 14 1
16 14 15 1
17 14 16 1 #Up
18 16 17 1
19 17 18 1
20 18 19 1
21 19 17 1
22 15 20 1
23 20 21 1
24 15 22 2
25 21 23 1
26 24 23 1 #Up
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 24 29 1
33 25 30 2
34 21 31 1 #Up
35 31 32 3
|
|---|
