| Entry |
|
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| Name |
Vicriviroc maleate (USAN) |
|---|
| Formula |
C28H38F3N5O2. C4H4O4
|
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| Exact mass |
649.3087
|
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| Mol weight |
649.70
|
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| Structure |
|
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| Efficacy |
Antiviral, CCR5 antagonist |
|---|
| Comment |
Treatment of autoimmune conditions
|
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| Target |
|
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| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
| hsa04061 | Viral protein interaction with cytokine and cytokine receptor |
|
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| Structure map |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CCR5 (CD195)
D06297 Vicriviroc maleate (USAN)
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
CCR5 antagonist
D06297 Vicriviroc maleate (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 46
1 C8x C 23.3800 -22.4000
2 N5x N 23.3800 -21.0000
3 N5x N 24.5700 -23.1000
4 C8y C 24.5700 -20.3000
5 C8y C 25.8300 -22.4000
6 C8y C 25.8300 -21.0000
7 C1a C 27.0200 -23.1000
8 C1a C 24.5700 -18.9000
9 C5a C 27.0200 -20.3000
10 N1y N 28.2100 -21.0000
11 O5a O 27.0200 -18.9700
12 C1x C 28.2100 -22.4700
13 C1x C 29.4700 -23.1000
14 C1z C 30.6600 -22.4000
15 C1x C 30.6600 -21.0000
16 C1x C 29.4000 -20.3000
17 N1y N 31.8500 -23.1000
18 C1x C 31.8500 -24.5700
19 C1y C 33.1100 -25.2000
20 N1y N 34.2300 -24.5000
21 C1x C 34.2300 -23.1000
22 C1x C 33.0400 -22.4000
23 C1c C 35.4200 -25.2000
24 C8y C 36.6100 -24.5000
25 C8x C 37.8700 -25.2000
26 C8x C 39.0600 -24.5000
27 C8y C 39.0600 -23.1000
28 C8x C 37.8000 -22.4000
29 C8x C 36.6100 -23.1000
30 C1d C 40.2500 -22.4000
31 X F 41.4400 -21.7000
32 X F 39.5500 -21.1400
33 X F 40.9500 -23.5900
34 C1b C 35.4200 -26.6700
35 O2a O 36.6800 -27.3700
36 C1a C 37.8700 -26.6700
37 C1a C 33.1100 -26.6000
38 C1a C 31.8500 -21.7000
39 C6a C 46.4100 -24.7800
40 C2b C 45.7800 -23.7300
41 O6a O 45.8500 -26.0400
42 O6a O 47.8100 -24.7800
43 C2b C 44.1700 -23.7300
44 C6a C 43.4700 -24.8500
45 O6a O 42.2100 -24.8500
46 O6a O 44.1700 -26.0400
BOND 48
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 6 2
6 5 6 1
7 5 7 1
8 4 8 1
9 6 9 1
10 9 10 1
11 9 11 2
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 10 16 1
18 14 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 20 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 24 29 1
33 27 30 1
34 30 31 1
35 30 32 1
36 30 33 1
37 23 34 1 #Down
38 34 35 1
39 35 36 1
40 19 37 1 #Up
41 14 38 1
42 39 40 1
43 39 41 1
44 39 42 2
45 40 43 2
46 43 44 1
47 44 45 1
48 44 46 2
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