Entry |
|
Name |
Bersacapavir (USAN/INN) |
Formula |
C16H14F4N4O3S
|
Exact mass |
418.0723
|
Mol weight |
418.37
|
Structure |
|
Efficacy |
Antiviral, HVB capsid assembly modulator |
Comment |
Treatment of hepatitis B virus (HBV) infection
|
Target |
HBV capsid protein [KO: K23129] |
Pathway |
|
Brite |
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
HBV core protein inhibitor
D12126 Bersacapavir (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 28
1 C8x C 17.5700 -14.0000
2 C8y C 17.5700 -15.4000
3 C8x C 18.7600 -16.1000
4 C8x C 20.0200 -15.4000
5 C8y C 20.0200 -14.0000
6 C8y C 18.7600 -13.3000
7 C3b C 18.7600 -11.9000
8 X F 21.2100 -13.3000
9 N1b N 16.3800 -16.1000
10 C5a C 15.1900 -15.4000
11 C8y C 14.0000 -16.1000
12 O5a O 15.1900 -14.0000
13 N3a N 18.7600 -10.5000
14 N4y N 12.6700 -15.7500
15 C8x C 11.9000 -16.8700
16 C8y C 12.7400 -17.9200
17 C8x C 14.0000 -17.5000
18 C1a C 12.1800 -14.4200
19 S4a S 12.3900 -19.2500
20 O3c O 10.9900 -18.9000
21 O3c O 13.7200 -19.6000
22 N1b N 11.9700 -20.6500
23 C1d C 9.5900 -20.6500
24 C1c C 10.7800 -21.3500
25 C1a C 10.7800 -22.7500
26 X F 8.3776 -19.9500
27 X F 8.8900 -21.8624
28 X F 9.5900 -19.2500
BOND 29
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 6 7 1
8 5 8 1
9 2 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 7 13 3
14 11 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 11 17 2
19 14 18 1
20 16 19 1
21 19 20 2
22 19 21 2
23 19 22 1
24 23 24 1
25 24 22 1
26 24 25 1 #Up
27 23 26 1
28 23 27 1
29 23 28 1
|