| Entry |
|
|---|
| Name |
Bemnifosbuvir sulfate (USAN) |
|---|
| Formula |
(C24H33FN7O7P)2. H2SO4
|
|---|
| Exact mass |
1260.4000
|
|---|
| Mol weight |
1261.15
|
|---|
| Structure |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Treatment of COVID-19
|
|---|
| Target |
SARS coronavirus replicase [KO: K24149] HCV NS5B polymerase [KO: K22472] |
|---|
| Pathway |
| ko05171 | Coronavirus disease - COVID-19 |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG03210 Bemnifosbuvir
D12260 Bemnifosbuvir sulfate
DG03174 Anti-SARS-CoV-2 agent
DG03210 Bemnifosbuvir
D12260 Bemnifosbuvir sulfate
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D12260 Bemnifosbuvir sulfate (USAN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG03210 Bemnifosbuvir
DG03174 Anti-SARS-CoV-2 agent
DG03210 Bemnifosbuvir
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 85
1 C1a C 7.0700 -17.8500
2 C1c C 8.2600 -18.5500
3 O7a O 9.4500 -17.8500
4 C7a C 10.6400 -18.5500
5 C1c C 11.8300 -17.8500
6 N1b N 13.0200 -18.5500
7 C1a C 8.2600 -19.8800
8 O6a O 10.6400 -19.8800
9 C1a C 11.8300 -16.4500
10 C1y C 18.5500 -18.4100
11 C1y C 19.0400 -19.7400
12 C1z C 20.4400 -19.7400
13 C1y C 20.7900 -18.3400
14 O2x O 19.6700 -17.5000
15 P1b P 14.7700 -17.8500
16 O3b O 13.5800 -17.1500
17 O2b O 15.9600 -17.1500
18 C8y C 15.9600 -15.7500
19 C8x C 17.1500 -15.0500
20 C8x C 17.1500 -13.7200
21 C8x C 15.9600 -13.0200
22 C8x C 14.7700 -13.7200
23 C8x C 14.7700 -15.0500
24 O2b O 16.1700 -18.5500
25 C1b C 17.3600 -17.7800
26 O1a O 18.2700 -20.8600
27 C1a C 21.7700 -20.2300
28 X F 20.1600 -20.9300
29 C8y C 21.9100 -16.1000
30 N4y N 21.9100 -17.5000
31 C8x C 23.2400 -17.9200
32 N5x N 24.0800 -16.8000
33 C8y C 23.2400 -15.6800
34 C8y C 23.5200 -14.2800
35 N5x N 22.4700 -13.3700
36 C8y C 21.1400 -13.7900
37 N5x N 20.8600 -15.1900
38 N1b N 24.8500 -13.8600
39 C1a C 25.9000 -14.7700
40 N1a N 20.0900 -12.8800
41 S4a S 31.8500 -16.8000
42 O1d O 30.4500 -16.8000
43 O1d O 33.2500 -16.8000
44 O1d O 31.8500 -15.4000
45 O1d O 31.8500 -18.2000
46 C1a C 7.0700 -17.8500
47 C1c C 8.2600 -18.5500
48 O7a O 9.4500 -17.8500
49 C7a C 10.6400 -18.5500
50 C1c C 11.8300 -17.8500
51 N1b N 13.0200 -18.5500
52 P1b P 14.7700 -17.8500
53 O3b O 13.5800 -17.1500
54 O2b O 15.9600 -17.1500
55 C8y C 15.9600 -15.7500
56 C8x C 17.1500 -15.0500
57 C8x C 17.1500 -13.7200
58 C8x C 15.9600 -13.0200
59 C8x C 14.7700 -13.7200
60 C8x C 14.7700 -15.0500
61 O2b O 16.1700 -18.5500
62 C1b C 17.3600 -17.7800
63 C1y C 18.5500 -18.4100
64 C1y C 19.0400 -19.7400
65 C1z C 20.4400 -19.7400
66 C1y C 20.7900 -18.3400
67 O2x O 19.6700 -17.5000
68 N4y N 21.9100 -17.5000
69 C8y C 21.9100 -16.1000
70 C8y C 23.2400 -15.6800
71 N5x N 24.0800 -16.8000
72 C8x C 23.2400 -17.9200
73 C8y C 23.5200 -14.2800
74 N5x N 22.4700 -13.3700
75 C8y C 21.1400 -13.7900
76 N5x N 20.8600 -15.1900
77 N1a N 20.0900 -12.8800
78 N1b N 24.8500 -13.8600
79 C1a C 25.9000 -14.7700
80 C1a C 21.7700 -20.2300
81 X F 20.1600 -20.9300
82 O1a O 18.2700 -20.8600
83 C1a C 11.8300 -16.4500
84 O6a O 10.6400 -19.8800
85 C1a C 8.2600 -19.8800
BOND 90
1 41 42 1
2 41 43 1
3 41 44 2
4 41 45 2
5 1 2 1
6 2 3 1
7 3 4 1
8 4 5 1
9 5 6 1
10 2 7 1
11 4 8 2
12 5 9 1 #Down
13 10 11 1
14 11 12 1
15 12 13 1
16 13 14 1
17 10 14 1
18 15 16 2
19 15 17 1
20 17 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 18 23 1
27 15 24 1 #Down
28 24 25 1
29 10 25 1 #Up
30 11 26 1 #Down
31 12 27 1 #Up
32 12 28 1 #Down
33 15 6 1 #Up
34 29 30 1
35 30 31 1
36 31 32 2
37 32 33 1
38 29 33 1
39 13 30 1 #Up
40 33 34 2
41 34 35 1
42 35 36 2
43 36 37 1
44 29 37 2
45 34 38 1
46 38 39 1
47 36 40 1
48 46 47 1
49 47 48 1
50 48 49 1
51 49 50 1
52 50 51 1
53 47 85 1
54 49 84 2
55 50 83 1 #Down
56 63 64 1
57 64 65 1
58 65 66 1
59 66 67 1
60 63 67 1
61 52 53 2
62 52 54 1
63 54 55 1
64 55 56 2
65 56 57 1
66 57 58 2
67 58 59 1
68 59 60 2
69 55 60 1
70 52 61 1 #Down
71 61 62 1
72 63 62 1 #Up
73 64 82 1 #Down
74 65 80 1 #Up
75 65 81 1 #Down
76 52 51 1 #Up
77 69 68 1
78 68 72 1
79 72 71 2
80 71 70 1
81 69 70 1
82 66 68 1 #Up
83 70 73 2
84 73 74 1
85 74 75 2
86 75 76 1
87 69 76 2
88 73 78 1
89 78 79 1
90 75 77 1
BRACKET 1 4.4100 -22.1900 4.4100 -10.1500
1 27.6500 -10.1500 27.6500 -22.1900
1 2
ORIGINAL 1 1 2 3 4 5 6 15 16 17 18 19 20 21 22 23 24
1 25 10 11 12 13 14 30 29 33 32 31 34 35 36 37 40
1 38 39 27 28 26 9 8 7
REPEAT 1 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61
1 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77
1 78 79 80 81 82 83 84 85
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