| Entry |
|
|---|
| Name |
Zegruvirimat (USAN/INN) |
|---|
| Formula |
C49H70N4O5S
|
|---|
| Exact mass |
826.5067
|
|---|
| Mol weight |
827.17
|
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| 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
D12944 Zegruvirimat (USAN/INN)
|
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| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 59
1 C1x C 11.3498 -18.5691
2 C1z C 11.3498 -19.9705
3 C1x C 12.5410 -20.6713
4 C1x C 13.8023 -19.9705
5 C2y C 13.8023 -18.5691
6 C2x C 12.5410 -17.8684
7 C6a C 10.1586 -20.6713
8 C2y C 14.9936 -17.8684
9 O6a O 8.9674 -19.9705
10 O6a O 10.1586 -22.0727
11 C1b C 10.1586 -19.2698
12 O2a O 10.1586 -17.8684
13 C1z C 16.1848 -18.5691
14 C1y C 17.4461 -17.8684
15 C1z C 17.4461 -16.4670
16 C1x C 16.2548 -15.7662
17 C2x C 14.9936 -16.4670
18 C1x C 18.6373 -18.5691
19 C1x C 19.8285 -17.8684
20 C1z C 19.8285 -16.4670
21 C1y C 18.6373 -15.7662
22 C1z C 21.0898 -15.7662
23 C1y C 21.0898 -14.3648
24 C1x C 19.8285 -13.6641
25 C1x C 18.6373 -14.3648
26 C1x C 22.2810 -16.4670
27 C1x C 23.4722 -15.7662
28 C1z C 23.4722 -14.3648
29 C1y C 22.2810 -13.6641
30 C1x C 24.5233 -13.3838
31 C1x C 23.9627 -12.1225
32 C1y C 22.5613 -12.2626
33 C2c C 21.6504 -11.2116
34 C2a C 20.2490 -11.4919
35 C1a C 22.0708 -9.8802
36 N1b N 24.6635 -15.0655
37 C1b C 25.8547 -14.3648
38 C1b C 27.0459 -15.0655
39 N1y N 28.2372 -14.3648
40 C1x C 28.2372 -12.9633
41 C1x C 29.4284 -15.0655
42 C1x C 30.6897 -14.3648
43 S2x S 30.6897 -12.9633
44 C1x C 29.4284 -12.2626
45 O3c O 30.6897 -11.5619
46 O3c O 31.9510 -13.6641
47 C1a C 21.0898 -17.1676
48 C1a C 19.8285 -15.0655
49 C1a C 17.4461 -15.0655
50 C1a C 14.9936 -19.2698
51 C1a C 16.1848 -19.9705
52 C8y C 8.9402 -17.1650
53 C8y C 8.9400 -15.7501
54 C8x C 7.7275 -15.0503
55 C8x C 6.5151 -15.7505
56 C8x C 6.5154 -17.1654
57 N5x N 7.7279 -17.8652
58 C3b C 10.1673 -15.0412
59 N3a N 11.3797 -14.3412
BOND 66
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
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