Entry |
|
Name |
Nirmatrelvir (JAN/USAN); PF-07321332 |
Formula |
C23H32F3N5O4
|
Exact mass |
499.2406
|
Mol weight |
499.5265
|
Structure |
|
Class |
Antiviral
DG03174 Anti-SARS-CoV-2 agent
|
Remark |
Product (mixture): | D12269<JP/US> |
|
Efficacy |
Antiviral |
Comment |
Treatment of SARS-CoV-2 infection
|
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
D12244 Nirmatrelvir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
SARS-CoV 3C protease inhibitor
D12244 Nirmatrelvir (JAN/USAN)
|
Other DBs |
|
KCF data |
ATOM 35
1 N1y N 16.9289 -16.0195
2 C1x C 15.8096 -15.1800
3 C1y C 16.2293 -13.8509
4 C1y C 17.6284 -13.8509
5 C1y C 18.0481 -15.1800
6 C1z C 16.9289 -12.6617
7 C1a C 17.6284 -11.4725
8 C1a C 16.2293 -11.4725
9 C5a C 19.2373 -15.8796
10 N1b N 20.4266 -15.1800
11 O5a O 19.2373 -17.2786
12 C1c C 21.6158 -15.8796
13 C1b C 22.8750 -15.1800
14 C3b C 21.6158 -17.2786
15 N3a N 21.6158 -18.6777
16 C1y C 24.0642 -15.8796
17 C5x C 24.2740 -17.2786
18 N1x N 25.6731 -17.5585
19 C1x C 26.3727 -16.2993
20 C1x C 25.3933 -15.2500
21 O5x O 23.2247 -18.1880
22 C5a C 16.9289 -17.4185
23 C1c C 15.7396 -18.1181
24 O5a O 18.1880 -18.1181
25 N1b N 14.5504 -17.4185
26 C1d C 15.7396 -19.5172
27 C1a C 14.5504 -20.2167
28 C1a C 16.9988 -20.2167
29 C1a C 15.7396 -20.9162
30 C5a C 13.3612 -18.1181
31 C1d C 12.1720 -17.4185
32 O5a O 13.3612 -19.5172
33 X F 10.9828 -18.1181
34 X F 12.1720 -16.0195
35 X F 10.9128 -16.7190
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1
7 6 3 1
8 6 7 1
9 6 8 1
10 5 9 1 #Up
11 9 10 1
12 9 11 2
13 12 10 1 #Up
14 12 13 1
15 12 14 1
16 14 15 3
17 16 13 1 #Down
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 16 20 1
23 17 21 2
24 1 22 1
25 22 23 1
26 22 24 2
27 23 25 1
28 23 26 1 #Down
29 26 27 1
30 26 28 1
31 26 29 1
32 25 30 1
33 30 31 1
34 30 32 2
35 31 33 1
36 31 34 1
37 31 35 1
|