Entry |
|
Name |
Ruzasvir (USAN/INN) |
Formula |
C49H55FN10O7S
|
Exact mass |
946.396
|
Mol weight |
947.0872
|
Structure |
|
Class |
|
Efficacy |
Antiviral, NS5A inhibitor |
Target |
|
Pathway |
|
Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
D11217 Ruzasvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D11217 Ruzasvir (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 68
1 C8y C 22.1900 -44.2400
2 N4y N 22.8900 -45.4300
3 C1y C 24.2200 -45.4300
4 O2x O 24.9900 -44.2400
5 C8y C 24.2900 -42.9800
6 C8y C 22.8200 -43.0500
7 C8x C 24.9200 -41.7900
8 C8y C 24.2200 -40.6000
9 C8x C 22.8200 -40.6000
10 C8y C 22.1200 -41.8600
11 C8y C 24.9200 -39.4100
12 N5x N 26.2500 -39.4100
13 C8y C 26.8100 -38.2200
14 N4x N 25.8300 -37.2400
15 C8x C 24.5700 -38.0100
16 C1y C 28.1400 -37.8700
17 C1x C 29.2600 -38.7800
18 C1x C 30.3800 -38.0100
19 C1x C 30.1000 -36.5400
20 N1y N 28.7000 -36.5400
21 C5a C 28.0000 -35.2800
22 C1c C 28.6300 -34.0900
23 O5a O 26.6000 -35.2800
24 C1c C 30.0300 -34.0900
25 C1a C 30.7300 -32.9000
26 C1a C 30.7300 -35.2800
27 N1b N 27.9300 -32.9000
28 C7a C 28.7000 -31.6400
29 O7a O 30.0300 -31.6400
30 C1a C 30.8000 -30.3800
31 O6a O 28.0000 -30.4500
32 C8y C 24.9900 -46.6900
33 C8x C 24.4300 -47.9500
34 N5x N 25.5500 -48.8600
35 C8y C 26.6700 -48.1600
36 S2x S 26.3900 -46.6900
37 C1y C 27.9300 -48.7200
38 C8x C 20.7900 -44.5200
39 C8y C 20.6500 -45.9200
40 C8y C 21.9100 -46.4800
41 C8x C 19.5300 -46.7600
42 C8y C 19.6700 -48.1600
43 C8x C 21.0000 -48.7200
44 C8x C 22.1200 -47.8800
45 C8y C 18.4800 -48.8600
46 C8x C 17.1637 -48.2686
47 N4x N 16.2290 -49.2967
48 C8y C 16.8989 -50.5730
49 N5x N 18.3068 -50.2563
50 C1y C 16.2392 -51.6794
51 N1y N 14.8429 -51.6445
52 C1x C 14.3232 -52.8926
53 C1x C 15.4213 -53.8255
54 C1x C 16.5576 -53.0856
55 C5a C 14.1714 -50.4383
56 C1c C 12.7701 -50.4750
57 O5a O 14.8994 -49.2652
58 C1c C 12.0421 -51.6481
59 C1a C 10.7124 -51.6866
60 C1a C 12.7136 -52.8544
61 N1b N 12.1002 -49.1988
62 C7a C 10.6989 -49.2356
63 O7a O 9.9709 -50.4086
64 C1a C 8.6413 -50.3771
65 O6a O 10.0290 -47.9593
66 X F 20.7200 -41.8600
67 C1x C 28.7483 -49.8319
68 C1x C 29.2995 -48.5450
BOND 77
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 6 10 2
12 8 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 1
17 11 15 2
18 16 13 1 #Up
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 16 20 1
24 20 21 1
25 21 22 1
26 21 23 2
27 22 24 1
28 24 25 1
29 24 26 1
30 22 27 1 #Up
31 27 28 1
32 28 29 1
33 29 30 1
34 28 31 2
35 3 32 1 #Up
36 32 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 32 36 1
41 35 37 1
42 1 38 2
43 38 39 1
44 39 40 1
45 2 40 1
46 39 41 2
47 41 42 1
48 42 43 2
49 43 44 1
50 40 44 2
51 42 45 1
52 45 46 2
53 46 47 1
54 47 48 1
55 48 49 2
56 45 49 1
57 50 48 1 #Down
58 50 51 1
59 51 52 1
60 52 53 1
61 53 54 1
62 50 54 1
63 51 55 1
64 55 56 1
65 55 57 2
66 56 58 1
67 58 59 1
68 58 60 1
69 56 61 1 #Down
70 61 62 1
71 62 63 1
72 63 64 1
73 62 65 2
74 10 66 1
75 67 68 1
76 68 37 1
77 37 67 1
|