| Entry |
|
|---|
| Name |
Tegobuvir (USAN/INN) |
|---|
| Formula |
C25H14F7N5
|
|---|
| Exact mass |
517.1137
|
|---|
| Mol weight |
517.40
|
|---|
| Structure |
|
|---|
| Class |
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
|
|---|
| Efficacy |
Antiviral, NS5B polymerase inhibitor |
|---|
| Comment |
HCV NS5B is RNA-dependent RNA polymerase(RdRP).
Treatment of chronic hepatitis C
|
|---|
| Target |
HCV NS5B polymerase [KO: K22472] |
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
D09971 Tegobuvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D09971 Tegobuvir (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C8x C 13.0900 -21.2800
2 C8y C 13.0900 -22.6800
3 C8x C 14.3024 -23.3800
4 C8y C 15.5149 -22.6800
5 C8y C 15.5149 -21.2800
6 C8x C 14.3024 -20.5800
7 C8y C 16.7460 -20.5690
8 C8x C 17.9512 -21.2647
9 C8x C 19.1635 -20.5646
10 C8y C 19.1635 -19.1646
11 N5x N 17.9583 -18.4689
12 N5x N 16.7459 -19.1690
13 C1b C 20.3814 -18.4612
14 N4y N 21.5934 -19.1607
15 C8x C 21.5940 -20.5796
16 C8x C 22.8067 -21.2790
17 C8y C 24.0189 -20.5785
18 C8y C 24.0182 -19.1596
19 C8x C 22.8055 -18.4602
20 N5x N 25.3686 -21.0163
21 C8y C 26.2020 -19.8680
22 N5x N 25.3674 -18.7205
23 C8y C 27.5799 -19.8675
24 C8y C 28.2859 -21.0890
25 C8x C 29.6859 -21.0885
26 C8x C 30.3854 -19.8758
27 C8x C 29.6795 -18.6542
28 C8x C 28.2795 -18.6548
29 X F 27.5930 -22.2899
30 C1d C 16.7460 -23.3910
31 X F 17.9512 -22.6953
32 X F 16.7457 -24.7799
33 X F 17.9584 -24.0910
34 C1d C 11.8776 -23.3800
35 X F 10.6821 -22.6896
36 X F 11.8775 -24.7798
37 X F 10.6651 -24.0800
BOND 41
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 7 12 2
14 10 13 1
15 13 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 2
21 14 19 1
22 17 20 2
23 20 21 1
24 21 22 2
25 18 22 1
26 21 23 1
27 23 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 23 28 1
33 24 29 1
34 4 30 1
35 30 31 1
36 30 32 1
37 30 33 1
38 2 34 1
39 34 35 1
40 34 36 1
41 34 37 1
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