Entry |
|
Name |
Linvencorvir (USAN/INN) |
Formula |
C29H35FN6O5S
|
Exact mass |
598.2374
|
Mol weight |
598.69
|
Structure |
|
Efficacy |
Antiviral, HVB capsid assembly modulator |
Comment |
Treatment of chronic hepatitis B
|
Target |
HBV capsid protein [KO: K23129] |
Pathway |
|
Brite |
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
HBV core protein inhibitor
D12503 Linvencorvir (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 42
1 N1x N 15.0732 -16.7476
2 C1y C 15.0732 -18.1562
3 C2y C 16.2931 -18.8605
4 C2y C 17.5131 -18.1562
5 N2x N 17.5131 -16.7476
6 C2y C 16.2931 -16.0433
7 C1b C 18.7517 -18.8716
8 N1y N 19.9644 -18.1716
9 C1x C 21.1540 -18.8586
10 C1x C 22.3739 -18.1545
11 N1y N 22.3741 -16.7459
12 C1y C 21.1844 -16.0589
13 C1x C 19.9645 -16.7630
14 C5x C 23.3951 -15.8268
15 N1y N 22.8365 -14.5717
16 C1x C 21.4702 -14.7151
17 C1b C 23.5401 -13.3532
18 C1d C 24.9335 -13.3534
19 C6a C 25.6323 -12.1438
20 O6a O 27.0464 -12.1440
21 O6a O 24.9408 -10.9455
22 C1a C 24.9335 -14.7620
23 C1a C 26.1535 -14.0577
24 C8y C 16.2931 -14.6348
25 S2x S 17.4179 -13.8174
26 C8x C 16.9880 -12.4951
27 C8x C 15.5976 -12.4952
28 N5x N 15.1681 -13.8177
29 C8y C 13.8533 -18.8605
30 C8y C 12.6505 -18.1659
31 C8y C 11.4305 -18.8701
32 C8x C 11.4303 -20.2787
33 C8x C 12.6332 -20.9734
34 C8x C 13.8531 -20.2692
35 C1a C 12.6504 -16.7479
36 X F 10.1917 -18.1547
37 C7a C 16.2931 -20.2690
38 O6a O 15.0563 -20.9832
39 O7a O 17.4960 -20.9636
40 C1b C 18.6906 -20.2740
41 C1a C 19.8893 -20.9662
42 O5x O 24.7487 -16.1146
BOND 46
1 1 2 1
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 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 12 16 1
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 19 21 2
24 18 22 1
25 18 23 1
26 6 24 1
27 24 25 1
28 25 26 1
29 26 27 2
30 27 28 1
31 24 28 2
32 2 29 1 #Down
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 30 35 1
40 31 36 1
41 3 37 1
42 37 38 2
43 37 39 1
44 39 40 1
45 40 41 1
46 14 42 2
|