| Entry |
|
|---|
| Name |
Vedroprevir (USAN/INN) |
|---|
| Formula |
C45H60ClN7O9S
|
|---|
| Exact mass |
909.3862
|
|---|
| Mol weight |
910.5174
|
|---|
| Structure |
|
|---|
| Class |
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
|
|---|
| Efficacy |
Antiviral, Protease inhibitor |
|---|
| Comment |
Treatment of hepatitis C
|
|---|
| Target |
|
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| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
D10408 Vedroprevir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D10408 Vedroprevir (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 63
1 C1y C 35.2115 -22.0510
2 C1x C 36.4016 -22.5410
3 C1y C 37.3116 -21.5610
4 N1y N 36.6116 -20.3709
5 C1x C 35.3515 -20.6509
6 C5a C 38.7117 -21.5610
7 N1b N 39.4817 -20.4409
8 O5a O 39.5517 -22.6810
9 C1y C 42.7018 -19.4609
10 C1z C 41.7918 -20.4409
11 C1x C 42.9818 -20.7909
12 C6a C 41.7918 -21.8410
13 O6a O 40.7417 -22.5410
14 O6a O 42.9818 -22.4710
15 C8y C 32.4814 -24.6411
16 C8y C 32.4814 -26.0411
17 C8y C 33.6015 -24.0811
18 C8x C 34.7915 -24.7111
19 C8y C 34.7915 -26.1111
20 N5x N 33.6015 -26.7411
21 C8y C 35.9816 -26.8111
22 O2a O 33.6015 -22.6810
23 N5x N 37.1016 -26.0411
24 C8x C 36.4016 -28.1412
25 S2x S 37.8016 -28.1412
26 C8y C 38.2216 -26.8812
27 C1c C 40.7417 -26.8812
28 N1b N 39.5517 -26.1811
29 C1a C 41.9318 -26.1811
30 C1a C 40.7417 -28.2112
31 C8x C 31.2214 -23.9410
32 C8x C 30.0314 -24.6411
33 C8y C 30.0314 -26.0411
34 C8y C 31.2214 -26.7411
35 O2a O 28.8413 -26.7411
36 C1b C 27.5813 -26.0411
37 X Cl 31.2214 -28.1412
38 C1b C 26.3212 -26.7411
39 N1y N 25.1312 -26.1111
40 C1x C 25.1312 -24.7111
41 C1x C 23.8711 -24.0110
42 O2x O 22.6811 -24.7811
43 C1x C 22.6811 -26.1111
44 C1x C 23.8711 -26.8111
45 C1b C 43.0518 -18.1308
46 C1a C 44.4519 -18.1308
47 C5a C 37.1699 -19.0870
48 O5a O 38.5700 -19.0870
49 C1c C 36.4137 -17.9337
50 N1b N 35.0136 -17.9337
51 C1d C 37.0816 -16.6970
52 C1a C 38.4997 -16.7264
53 C1a C 36.3679 -15.5384
54 C1a C 37.7816 -15.4845
55 C7a C 34.3050 -16.7064
56 O7a O 32.9017 -16.7062
57 O6a O 34.9937 -15.5138
58 C1y C 32.1907 -17.9370
59 C1x C 30.8014 -17.9259
60 C1y C 30.3633 -19.2426
61 C1y C 31.4801 -20.0662
62 C1x C 32.6084 -19.2585
63 C1x C 30.1277 -20.6262
BOND 70
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 6 8 2
8 9 10 1
9 10 11 1
10 11 9 1
11 10 12 1 #Down
12 12 13 2
13 12 14 1
14 10 7 1
15 15 16 1
16 15 17 1
17 17 18 2
18 18 19 1
19 19 20 2
20 16 20 1
21 19 21 1
22 17 22 1
23 1 22 1 #Up
24 3 6 1 #Down
25 21 23 1
26 21 24 2
27 24 25 1
28 25 26 1
29 23 26 2
30 27 28 1
31 26 28 1
32 27 29 1
33 27 30 1
34 15 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 16 34 2
39 33 35 1
40 35 36 1
41 34 37 1
42 36 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 41 42 1
47 42 43 1
48 43 44 1
49 39 44 1
50 9 45 1 #Down
51 45 46 1
52 4 47 1
53 47 48 2
54 49 47 1 #Up
55 49 50 1
56 49 51 1
57 51 52 1
58 51 53 1
59 51 54 1
60 50 55 1
61 55 56 1
62 55 57 2
63 58 56 1 #Down
64 58 59 1
65 59 60 1
66 60 61 1
67 61 62 1
68 58 62 1
69 61 63 1
70 60 63 1
|
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