| Entry |
|
|---|
| Name |
Zegruvirimat tosylate (USAN) |
|---|
| Formula |
C49H70N4O5S. C7H8O3S
|
|---|
| Exact mass |
998.5261
|
|---|
| Mol weight |
999.37
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral, Maturation inhibitor |
|---|
| Comment |
Treatment of HIV infection
|
|---|
| Target |
|
|---|
| Pathway |
| ko03260 | Virion - Human immunodeficiency virus |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antivirals
Virus maturation inhibitor
HIV maturation inhibitor
D12945 Zegruvirimat tosylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 70
1 C1x C 10.7149 -18.5585
2 C1z C 10.7149 -19.9592
3 C1x C 11.9055 -20.6595
4 C1x C 13.1661 -19.9592
5 C2y C 13.1661 -18.5585
6 C2x C 11.9055 -17.8582
7 C6a C 9.5244 -20.6595
8 C2y C 14.3566 -17.8582
9 O6a O 8.3338 -19.9592
10 O6a O 9.5244 -22.0602
11 C1b C 9.5244 -19.2589
12 O2a O 9.5244 -17.8582
13 C1z C 15.5472 -18.5585
14 C1y C 16.8077 -17.8582
15 C1z C 16.8077 -16.4576
16 C1x C 15.6172 -15.7573
17 C2x C 14.3566 -16.4576
18 C1x C 17.9983 -18.5585
19 C1x C 19.1888 -17.8582
20 C1z C 19.1888 -16.4576
21 C1y C 17.9983 -15.7573
22 C1z C 20.4494 -15.7573
23 C1y C 20.4494 -14.3566
24 C1x C 19.1888 -13.6563
25 C1x C 17.9983 -14.3566
26 C1x C 21.6400 -16.4576
27 C1x C 22.8305 -15.7573
28 C1z C 22.8305 -14.3566
29 C1y C 21.6400 -13.6563
30 C1x C 23.8810 -13.3762
31 C1x C 23.3207 -12.1156
32 C1y C 21.9201 -12.2556
33 C2c C 21.0097 -11.2052
34 C2a C 19.6090 -11.4853
35 C1a C 21.4299 -9.8745
36 N1b N 24.0211 -15.0569
37 C1b C 25.2116 -14.3566
38 C1b C 26.4022 -15.0569
39 N1y N 27.5927 -14.3566
40 C1x C 27.5927 -12.9560
41 C1x C 28.7833 -15.0569
42 C1x C 30.0438 -14.3566
43 S2x S 30.0438 -12.9560
44 C1x C 28.7833 -12.2556
45 O1d O 30.0438 -11.5553
46 O1d O 31.3044 -13.6563
47 C1a C 20.4494 -17.1579
48 C1a C 19.1888 -15.0569
49 C1a C 16.8077 -15.0569
50 C1a C 14.3566 -19.2589
51 C1a C 15.5472 -19.9592
52 C8y C 8.3338 -17.1579
53 C8y C 8.3338 -15.7573
54 C8x C 7.0733 -15.0569
55 C8x C 5.8827 -15.7573
56 C8x C 5.8827 -17.1579
57 N5x N 7.0733 -17.8582
58 C3b C 9.5244 -15.0569
59 N3a N 10.7149 -14.3566
60 C8x C 28.8400 -20.0900
61 C8x C 28.8400 -21.4900
62 C8y C 30.0524 -22.1900
63 C8x C 31.2649 -21.4900
64 C8x C 31.2649 -20.0900
65 C8y C 30.0524 -19.3900
66 S4a S 30.0524 -17.9902
67 O1d O 28.6524 -17.9902
68 O1d O 31.4524 -17.9902
69 O1d O 30.0524 -16.5902
70 C1a C 30.0524 -23.5898
BOND 77
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 12 52 1
59 52 53 1
60 53 54 2
61 54 55 1
62 55 56 2
63 56 57 1
64 52 57 2
65 53 58 1
66 58 59 3
67 60 61 2
68 61 62 1
69 62 63 2
70 63 64 1
71 64 65 2
72 60 65 1
73 65 66 1
74 66 67 2
75 66 68 2
76 66 69 1
77 62 70 1
|
|---|
