| Entry |
|
|---|
| Name |
Pradefovir mesylate (USAN) |
|---|
| Formula |
C17H19ClN5O4P. CH4SO3
|
|---|
| Exact mass |
519.0744
|
|---|
| Mol weight |
519.90
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, Reverse transcriptase inhibitor |
|---|
| Comment |
Active form of prodrug: Adefovir [DR: D02768]
|
|---|
| Target |
HBV reverse transcriptase [KO: K21037] |
|---|
| Pathway |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HBV reverse transcriptase inhibitor
D05588 Pradefovir mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 P1b P 20.5100 -16.5200
2 O2x O 20.5100 -15.1200
3 O3b O 20.5100 -17.9200
4 O2x O 19.3200 -17.2200
5 C1y C 18.1300 -16.5200
6 C1x C 18.1300 -15.1200
7 C1x C 19.3200 -14.4200
8 C8y C 26.6700 -14.7000
9 C8y C 26.6700 -13.2300
10 N4y N 25.3400 -15.1200
11 N5x N 27.9300 -15.3300
12 N5x N 25.3400 -12.8100
13 C8y C 27.9300 -12.6000
14 C8x C 24.5000 -14.0000
15 C1b C 25.3400 -16.5200
16 C8x C 29.1200 -14.7000
17 N5x N 29.1200 -13.2300
18 C1b C 24.1500 -17.2200
19 O2a O 22.8900 -16.5200
20 C1b C 21.7000 -17.2200
21 N1a N 27.9300 -11.2700
22 C8y C 16.8700 -17.2200
23 C8x C 16.8700 -18.6200
24 C8x C 15.6800 -19.3200
25 C8x C 14.4900 -18.6200
26 C8y C 14.4900 -17.2200
27 C8x C 15.6800 -16.5200
28 X Cl 13.3000 -16.5200
29 O1d O 34.1600 -15.8900
30 S4a S 34.1600 -17.2900
31 C1a C 32.7600 -17.2900
32 O1d O 35.5600 -17.2900
33 O1d O 34.1600 -18.6900
BOND 35
1 1 2 1
2 1 3 2
3 1 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 2 1
8 9 12 1
9 9 13 1
10 10 14 1
11 10 15 1
12 11 16 2
13 13 17 2
14 15 18 1
15 18 19 1
16 19 20 1
17 12 14 2
18 16 17 1
19 8 9 2
20 8 10 1
21 8 11 1
22 13 21 1
23 1 20 1 #Down
24 5 22 1 #Down
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 26 28 1
32 29 30 2
33 30 31 1
34 30 32 1
35 30 33 2
|
|---|
