| Entry |
|
|---|
| Name |
Beclabuvir (USAN/INN) |
|---|
| Formula |
C36H45N5O5S
|
|---|
| Exact mass |
659.3141
|
|---|
| Mol weight |
659.84
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral, NS5B polymerase inhibitor |
|---|
| Comment |
Treatment of hepatitis C infection
|
|---|
| Target |
HCV NS5B polymerase [KO: K22472] |
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG01824 Beclabuvir
D10610 Beclabuvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10610 Beclabuvir (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG01824 Beclabuvir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
DG01824 Beclabuvir
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 47
1 C8x C 18.4800 -14.3500
2 C8y C 18.4800 -15.7500
3 C8x C 19.6700 -16.4500
4 C8y C 20.9300 -15.7500
5 C8y C 20.9300 -14.3500
6 C8x C 19.6700 -13.6500
7 N4y N 22.2600 -16.1700
8 C8y C 23.0300 -15.0500
9 C8y C 22.2600 -13.9300
10 C5a C 17.2900 -16.4500
11 N1b N 16.1000 -15.7500
12 O5a O 17.2900 -17.8500
13 S4a S 14.9100 -16.4500
14 O3c O 13.8600 -15.4700
15 O3c O 15.8900 -17.4300
16 N1c N 13.8600 -17.4300
17 C1a C 12.5300 -17.0800
18 C1a C 14.2800 -18.7600
19 C8y C 24.4300 -15.0500
20 C8y C 25.3400 -16.1700
21 C1x C 22.4700 -17.5000
22 C1y C 24.9900 -17.5000
23 C1z C 23.7300 -18.1300
24 C1y C 22.7500 -12.6000
25 C1x C 24.1500 -12.3200
26 C1x C 24.5700 -10.9900
27 C1x C 23.6600 -9.9400
28 C1x C 22.2600 -10.2200
29 C1x C 21.7700 -11.5500
30 C8x C 26.7400 -15.9600
31 C8y C 27.2300 -14.6300
32 C8x C 26.3200 -13.5100
33 C8x C 24.9200 -13.7200
34 C5a C 23.7300 -19.5300
35 O5a O 22.5400 -20.2300
36 O2a O 28.6300 -14.4200
37 C1a C 29.4700 -15.5400
38 C1x C 24.9200 -18.8300
39 N1y N 28.2100 -22.6100
40 C1x C 27.2300 -21.1400
41 C1x C 27.2300 -22.1200
42 C1y C 25.8300 -21.1400
43 C1y C 25.7600 -22.1200
44 N1y N 24.9900 -20.3000
45 C1x C 24.8500 -21.7700
46 C1x C 24.2900 -22.8200
47 C1a C 29.2600 -23.5200
BOND 54
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 4 7 1
8 8 9 2
9 5 9 1
10 2 10 1
11 10 11 1
12 10 12 2
13 11 13 1
14 13 14 2
15 13 15 2
16 13 16 1
17 16 17 1
18 16 18 1
19 19 20 2
20 7 21 1
21 20 22 1
22 8 19 1
23 21 23 1
24 22 23 1
25 7 8 1
26 9 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 24 29 1
33 20 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 19 33 1
38 23 34 1
39 34 35 2
40 31 36 1
41 36 37 1
42 23 38 1 #Down
43 22 38 1 #Down
44 40 42 1
45 41 43 1
46 42 44 1
47 42 45 1
48 43 46 1
49 43 44 1
50 45 46 1
51 39 40 1
52 39 41 1
53 39 47 1
54 34 44 1
|
|---|
