Entry |
|
Name |
Fipravirimat mesylate (USAN) |
Formula |
C43H67FN2O4S. CH4SO3
|
Exact mass |
822.4687
|
Mol weight |
823.18
|
Structure |
|
Remark |
|
Efficacy |
Antiviral, Maturation inhibitor |
Comment |
Treatment of human immunodeficiency virus (HIV) infection
|
Target |
|
Pathway |
ko03260 | Virion - Human immunodeficiency virus |
|
Brite |
Antimicrobials [BR:br08307]
Antivirals
Virus maturation inhibitor
HIV maturation inhibitor
D12535 Fipravirimat mesylate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 56
1 C1x C 9.5235 -18.5567
2 C1z C 9.5235 -19.9572
3 C1x C 10.7139 -20.6575
4 C1x C 11.9743 -19.9572
5 C2y C 11.9743 -18.5567
6 C2x C 10.7139 -17.8565
7 C6a C 8.3330 -20.6575
8 C2y C 13.1648 -17.8565
9 O6a O 7.1426 -19.9572
10 O6a O 8.3330 -22.0580
11 C1b C 8.3330 -19.2570
12 X F 8.3330 -17.8565
13 C1z C 14.3552 -18.5567
14 C1y C 15.6157 -17.8565
15 C1z C 15.6157 -16.4560
16 C1x C 14.4252 -15.7557
17 C2x C 13.1648 -16.4560
18 C1x C 16.8061 -18.5567
19 C1x C 17.9965 -17.8565
20 C1z C 17.9965 -16.4560
21 C1y C 16.8061 -15.7557
22 C1z C 19.2570 -15.7557
23 C1y C 19.2570 -14.3552
24 C1x C 17.9965 -13.6550
25 C1x C 16.8061 -14.3552
26 C1x C 20.4474 -16.4560
27 C1x C 21.6378 -15.7557
28 C1z C 21.6378 -14.3552
29 C1y C 20.4474 -13.6550
30 C1x C 22.6882 -13.3749
31 C1x C 22.1280 -12.1144
32 C1y C 20.7275 -12.2544
33 C2c C 19.8172 -11.2041
34 C2a C 18.4167 -11.4842
35 C1a C 20.2373 -9.8736
36 N1b N 22.8283 -15.0555
37 C1b C 24.0187 -14.3552
38 C1b C 25.2091 -15.0555
39 N1y N 26.3996 -14.3552
40 C1x C 26.3996 -12.9547
41 C1x C 27.5900 -15.0555
42 C1x C 28.8505 -14.3552
43 S2x S 28.8505 -12.9547
44 C1x C 27.5900 -12.2544
45 O1d O 28.8505 -11.5542
46 O1d O 30.1109 -13.6550
47 C1a C 19.2570 -17.1562
48 C1a C 17.9965 -15.0555
49 C1a C 15.6157 -15.0555
50 C1a C 13.1648 -19.2570
51 C1a C 14.3552 -19.9572
52 S4a S 24.1500 -19.8100
53 O1d O 24.1500 -18.4100
54 O1d O 24.1500 -21.2100
55 C1a C 22.7500 -19.8100
56 O1d O 25.5500 -19.8100
BOND 61
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1 #Down
8 5 8 1
9 7 9 2
10 7 10 1
11 2 11 1 #Up
12 11 12 1
13 8 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 8 17 2
19 14 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 15 21 1
24 20 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 21 25 1
29 22 26 1
30 26 27 1
31 27 28 1
32 23 29 1
33 28 29 1
34 28 30 1
35 30 31 1
36 31 32 1
37 29 32 1
38 32 33 1 #Down
39 33 34 2
40 33 35 1
41 28 36 1 #Up
42 36 37 1
43 37 38 1
44 38 39 1
45 40 39 1
46 39 41 1
47 41 42 1
48 42 43 1
49 43 44 1
50 40 44 1
51 43 45 2
52 43 46 2
53 22 47 1 #Down
54 20 48 1 #Up
55 15 49 1 #Up
56 13 50 1 #Down
57 13 51 1 #Up
58 52 53 2
59 52 54 2
60 52 55 1
61 52 56 1
|