| Entry |
|
|---|
| Name |
Zelicapavir (USAN/INN) |
|---|
| Formula |
C27H22F3N7O3
|
|---|
| Exact mass |
549.1736
|
|---|
| Mol weight |
549.50
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, RSV nucleoprotein inhibitor |
|---|
| Target |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
RSV nucleoprotein inhibitor
D12958 Zelicapavir (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 40
1 C8x C 5.6700 -20.4400
2 C8x C 5.6700 -21.8400
3 C8x C 6.8600 -22.5400
4 C8y C 8.1200 -21.8400
5 C8y C 8.1200 -20.4400
6 C8x C 6.8600 -19.7400
7 N1x N 9.2400 -19.5300
8 C5x C 10.5700 -19.8800
9 C1y C 11.2000 -21.1400
10 N2x N 10.5700 -22.4000
11 C2y C 9.2400 -22.6800
12 C8y C 8.9600 -24.0800
13 C8x C 7.6300 -24.4300
14 C8x C 7.2800 -25.8300
15 C8x C 8.3300 -26.8100
16 C8x C 9.6600 -26.3900
17 C8x C 9.9400 -24.9900
18 O5x O 11.4800 -18.7600
19 N1b N 12.6000 -21.1400
20 C8y C 13.3000 -22.3300
21 O2x O 12.8800 -23.6600
22 C8y C 14.0000 -24.5000
23 N5x N 15.1200 -23.6600
24 N5x N 14.7000 -22.3300
25 C8y C 14.0000 -25.9000
26 N5x N 12.8100 -26.6000
27 C8x C 12.8100 -28.0000
28 C8y C 14.0000 -28.7000
29 C8x C 15.2600 -28.0000
30 C8y C 15.2600 -26.6000
31 N1y N 16.4666 -25.8900
32 C1x C 17.6763 -26.5753
33 C1x C 18.8830 -25.8655
34 O2x O 18.8716 -24.4655
35 C1x C 17.6619 -23.7802
36 C1x C 16.4552 -24.4901
37 C1d C 13.9828 -30.0999
38 X F 12.5828 -30.0999
39 X F 15.3828 -30.0999
40 X F 13.9828 -31.4999
BOND 45
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 8 9 1
8 9 10 1
9 7 8 1
10 4 11 1
11 5 7 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 8 18 2
21 9 19 1 #Up
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 20 24 2
28 22 25 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 25 2
34 26 25 1
35 30 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 31 36 1
42 28 37 1
43 37 38 1
44 37 39 1
45 37 40 1
|
|---|
