| Entry |
|
|---|
| Name |
Pimodivir hydrochloride (USAN);
Pimodivir hydrochloride hemihydrate |
|---|
| Formula |
(C20H19F2N5O2)2. 2HCl. H2O
|
|---|
| Exact mass |
888.2653
|
|---|
| Mol weight |
889.7251
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Treatment of influenza A
|
|---|
| Target |
Influenza polymerase basic protein 2 [KO: K19388] |
|---|
| Pathway |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
Other inhibitor
D11367 Pimodivir hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 61
1 C8x C 13.0459 -14.2318
2 C8y C 13.0459 -15.6271
3 C8x C 14.2318 -16.3247
4 C8y C 15.4876 -15.6271
5 C8y C 15.4876 -14.2318
6 N5x N 14.2318 -13.5342
7 X F 11.8599 -16.3247
8 C8y C 16.8131 -16.0457
9 C8x C 17.6502 -14.9295
10 N4x N 16.8131 -13.8133
11 C8y C 18.0688 -16.8131
12 N5x N 18.0688 -18.2083
13 C8x C 19.2548 -18.9059
14 C8y C 20.5105 -18.2083
15 C8y C 20.5105 -16.8131
16 N5x N 19.2548 -16.0457
17 X F 21.6965 -18.9059
18 N1b N 21.6965 -16.0457
19 C1y C 22.9522 -16.7433
20 C1y C 22.9522 -18.2083
21 C1x C 24.2079 -18.9059
22 C1x C 25.3939 -18.1386
23 C1y C 25.3939 -16.7433
24 C1y C 24.1382 -16.0457
25 C6a C 24.1382 -14.6504
26 O6a O 22.9522 -13.9528
27 O6a O 25.3939 -13.9528
28 C1x C 23.9986 -16.9526
29 C1x C 24.3474 -17.9990
30 X Cl 30.1700 -14.6300
31 X Cl 30.1700 -16.3100
32 O0 O 30.6600 -18.3400
33 C8x C 13.0459 -14.2318
34 C8y C 13.0459 -15.6271
35 C8x C 14.2318 -16.3247
36 C8y C 15.4876 -15.6271
37 C8y C 15.4876 -14.2318
38 N5x N 14.2318 -13.5342
39 N4x N 16.8131 -13.8133
40 C8x C 17.6502 -14.9295
41 C8y C 16.8131 -16.0457
42 C8y C 18.0688 -16.8131
43 N5x N 18.0688 -18.2083
44 C8x C 19.2548 -18.9059
45 C8y C 20.5105 -18.2083
46 C8y C 20.5105 -16.8131
47 N5x N 19.2548 -16.0457
48 N1b N 21.6965 -16.0457
49 C1y C 22.9522 -16.7433
50 C1y C 22.9522 -18.2083
51 C1x C 24.2079 -18.9059
52 C1x C 25.3939 -18.1386
53 C1y C 25.3939 -16.7433
54 C1y C 24.1382 -16.0457
55 C6a C 24.1382 -14.6504
56 O6a O 22.9522 -13.9528
57 O6a O 25.3939 -13.9528
58 C1x C 23.9986 -16.9526
59 C1x C 24.3474 -17.9990
60 X F 21.6965 -18.9059
61 X F 11.8599 -16.3247
BOND 66
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 2 7 1
8 4 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 11 8 1
19 14 17 1
20 15 18 1
21 19 18 1 #Down
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 24 25 1 #Up
29 25 26 2
30 25 27 1
31 23 28 1
32 20 29 1
33 29 28 1
34 33 34 2
35 34 35 1
36 35 36 2
37 36 37 1
38 37 38 2
39 33 38 1
40 34 61 1
41 36 41 1
42 41 40 2
43 40 39 1
44 37 39 1
45 42 43 2
46 43 44 1
47 44 45 2
48 45 46 1
49 46 47 2
50 42 47 1
51 42 41 1
52 45 60 1
53 46 48 1
54 49 48 1 #Down
55 49 50 1
56 50 51 1
57 51 52 1
58 52 53 1
59 53 54 1
60 49 54 1
61 54 55 1 #Up
62 55 56 2
63 55 57 1
64 53 58 1
65 50 59 1
66 59 58 1
BRACKET 1 11.2700 -19.9500 11.2700 -11.9700
1 27.0900 -11.9700 27.0900 -19.9500
1 2
ORIGINAL 1 1 2 3 4 5 6 10 9 8 11 12 13 14 15 16 18
1 19 20 21 22 23 24 25 26 27 28 29 17 7
REPEAT 1 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48
1 49 50 51 52 53 54 55 56 57 58 59 60 61
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