Entry |
|
Name |
Setrobuvir (USAN) |
Formula |
C25H25FN4O6S2
|
Exact mass |
560.1200
|
Mol weight |
560.62
|
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 hepatitis C
|
Target |
HCV NS5B polymerase [KO: K22472] |
Pathway |
|
Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
D10165 Setrobuvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10165 Setrobuvir (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 38
1 C8y C 15.1200 -18.2700
2 C8y C 15.1200 -19.6700
3 N4x N 16.3324 -20.3700
4 C8y C 17.5449 -19.6700
5 N5x N 17.5449 -18.2700
6 S2x S 16.3324 -17.5700
7 C8x C 13.9076 -17.5700
8 C8y C 12.6951 -18.2700
9 C8x C 12.6951 -19.6700
10 C8x C 13.9076 -20.3700
11 N1b N 11.4640 -17.5590
12 S4a S 10.2588 -18.2547
13 C1a C 9.0765 -17.5719
14 O3c O 9.5588 -19.4671
15 O3c O 10.8312 -19.4670
16 O3c O 17.0324 -16.3576
17 O3c O 15.6324 -16.3576
18 C2y C 18.7760 -20.3810
19 C5x C 18.7757 -21.7699
20 N1y N 19.9880 -22.4702
21 C1y C 21.2006 -21.7705
22 C1y C 21.2009 -20.3816
23 C2y C 19.9886 -19.6813
24 C1y C 22.4128 -22.4707
25 C1x C 23.6254 -21.7710
26 C1x C 23.6257 -20.3821
27 C1y C 22.4135 -19.6819
28 O5x O 17.5513 -22.4765
29 C1b C 19.9877 -23.8696
30 C8y C 18.7994 -24.5557
31 C8x C 17.6161 -23.8725
32 C8x C 16.4037 -24.5724
33 C8y C 16.4036 -25.9724
34 C8x C 17.5869 -26.6556
35 C8x C 18.7994 -25.9557
36 X F 15.1747 -26.6821
37 O1a O 19.9887 -18.2704
38 C1x C 21.7128 -21.1183
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 2
12 8 11 1
13 11 12 1
14 12 13 1
15 12 14 2
16 12 15 2
17 6 16 2
18 6 17 2
19 4 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 18 23 2
26 21 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 19 28 2
32 20 29 1
33 29 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 33 36 1
41 23 37 1
42 24 38 1 #Down
43 27 38 1 #Down
|