Entry |
|
Name |
Adafosbuvir (USAN) |
Formula |
C22H29FN3O10P
|
Exact mass |
545.1575
|
Mol weight |
545.4519
|
Structure |
|
Simcomp |
|
Efficacy |
Antiviral |
Comment |
Treatment of hepatitis C virus infection
|
Target |
HCV NS5B polymerase [KO: K22472] |
Pathway |
|
Brite |
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D11364 Adafosbuvir (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 37
1 C1z C 20.7295 -17.5781
2 C1y C 21.1497 -18.9087
3 C1z C 22.5504 -18.9087
4 C1y C 22.9706 -17.5781
5 O2x O 21.8500 -16.7377
6 O2b O 18.3484 -17.7181
7 C1b C 19.5390 -16.9478
8 O1a O 20.3093 -20.0292
9 C1a C 23.8810 -19.5390
10 O1a O 22.2002 -20.1693
11 N4y N 24.3012 -17.1579
12 C8x C 25.4917 -17.9282
13 C8x C 26.7523 -17.2279
14 C8y C 26.7523 -15.8973
15 N4x N 25.5618 -15.1270
16 C8y C 24.3712 -15.8273
17 O5x O 28.0129 -15.1970
18 O5x O 23.1807 -15.0569
19 X F 19.5171 -18.2781
20 C1a C 9.2443 -17.0178
21 C1c C 10.4348 -17.7181
22 O7a O 11.6253 -17.0178
23 C7a C 12.8159 -17.7181
24 C1c C 14.0064 -17.0178
25 N1b N 15.1970 -17.7181
26 C1a C 10.4348 -19.0488
27 O6a O 12.8159 -19.0488
28 C1a C 14.0064 -15.6172
29 P1b P 16.9478 -17.0178
30 O3b O 15.7572 -16.3175
31 O2b O 18.1383 -16.3175
32 C8y C 18.1383 -14.9169
33 C8x C 19.3289 -14.2165
34 C8x C 19.3289 -12.8859
35 C8x C 18.1383 -12.1856
36 C8x C 16.9478 -12.8859
37 C8x C 16.9478 -14.2165
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 1 7 1 #Up
8 2 8 1 #Down
9 3 9 1 #Up
10 3 10 1 #Down
11 4 11 1 #Up
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 14 17 2
19 16 18 2
20 1 19 1 #Down
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 21 26 1
27 23 27 2
28 24 28 1 #Down
29 29 30 2
30 29 31 1
31 31 32 1
32 32 33 2
33 33 34 1
34 34 35 2
35 35 36 1
36 36 37 2
37 32 37 1
38 29 25 1 #Up
39 29 6 1 #Down
|