| Entry |
|
| Name |
Sisunatovir (USAN/INN) |
| Formula |
C23H22F4N4O
|
| Exact mass |
446.173
|
| Mol weight |
446.4406
|
| Structure |

|
| Remark |
| Chemical structure group: | DG03171 |
|
| Efficacy |
Antiviral, Fusion protein inhibitor |
| Comment |
Treatment of respiratory syncytial virus infection
|
| Target |
RSV F protein [KO:K19261] |
| Brite |
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
RSV F protein
D12200 Sisunatovir (USAN/INN)
|
| Other DBs |
|
| KCF data |
ATOM 32
1 C8x C 9.4500 -15.8200
2 C8y C 9.4500 -17.2200
3 C8x C 10.6400 -17.9200
4 C8y C 11.9000 -17.2200
5 C8y C 11.9000 -15.8200
6 C8x C 10.6400 -15.1200
7 N5x N 13.2300 -17.6400
8 C8y C 14.0000 -16.5200
9 N4y N 13.2300 -15.4000
10 C1b C 8.2600 -17.9200
11 N1a N 7.0700 -17.2200
12 C1b C 13.6500 -14.0700
13 C1b C 15.0500 -13.7900
14 C1b C 15.9600 -14.8400
15 C1b C 15.4000 -16.5200
16 C1d C 17.3600 -14.5600
17 N1y N 16.1000 -17.7100
18 C5x C 15.6800 -19.0400
19 C1z C 16.8000 -19.8800
20 C8y C 17.9200 -19.1100
21 C8y C 17.5000 -17.7100
22 C8x C 19.2500 -19.3900
23 C8x C 20.2300 -18.3400
24 C8y C 19.7400 -17.0100
25 C8x C 18.4100 -16.7300
26 O5x O 14.3500 -19.3900
27 C1x C 16.1000 -21.0700
28 C1x C 17.5000 -21.0700
29 X F 20.6554 -15.9507
30 X F 18.7123 -14.1977
31 X F 16.9977 -13.2077
32 X F 17.7223 -15.9123
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 2 10 1
12 10 11 1
13 9 12 1
14 12 13 1
15 13 14 1
16 8 15 1
17 14 16 1
18 15 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 17 21 1
24 20 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 21 25 2
29 18 26 2
30 27 28 1
31 28 19 1
32 19 27 1
33 24 29 1
34 16 30 1
35 16 31 1
36 16 32 1
|