| Entry |
|
|---|
| Name |
Aplaviroc hydrochloride (USAN) |
|---|
| Formula |
C33H43N3O6. HCl
|
|---|
| Exact mass |
613.2919
|
|---|
| Mol weight |
614.17
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiviral, CCR5 antagonist |
|---|
| Comment |
Treatment of HIV infection
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
| hsa04061 | Viral protein interaction with cytokine and cytokine receptor |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CCR5 (CD195)
D06557 Aplaviroc hydrochloride (USAN)
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
CCR5 antagonist
D06557 Aplaviroc hydrochloride (USAN)
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 43
1 C8x C 34.7199 -21.2417
2 C8y C 34.7268 -22.6218
3 C8x C 33.5491 -23.3939
4 C8x C 32.2789 -22.6552
5 C8y C 32.2720 -21.2751
6 C8x C 33.5101 -20.5380
7 C8x C 29.8727 -22.6707
8 C8y C 29.8727 -21.2713
9 O2a O 31.0623 -20.5715
10 C8x C 28.6132 -23.3705
11 C8y C 27.4236 -22.6707
12 C8x C 27.4236 -21.2713
13 C8x C 28.6132 -20.5715
14 C6a C 35.9365 -23.3253
15 O6a O 37.1746 -22.5883
16 O6a O 35.9433 -24.7054
17 C1b C 26.1641 -23.3705
18 N1y N 24.9745 -22.6707
19 C1x C 23.7850 -23.3705
20 C1x C 22.5954 -22.6707
21 C1z C 22.5954 -21.2713
22 C1x C 23.7850 -20.5715
23 C1x C 24.9745 -21.2713
24 C5x C 21.3359 -21.9710
25 N1x N 20.1464 -21.2713
26 C1y C 20.1464 -19.8718
27 C5x C 21.3359 -19.1721
28 N1y N 22.5954 -19.8718
29 O5x O 21.3359 -23.3705
30 C1b C 23.7850 -19.1721
31 C1b C 24.9745 -19.8718
32 C1b C 26.1641 -19.1721
33 C1a C 27.3537 -19.8718
34 O5x O 21.3359 -17.7726
35 C1c C 18.9568 -19.1721
36 C1y C 17.7673 -19.8718
37 O1a O 18.9568 -17.7726
38 C1x C 17.7673 -21.2713
39 C1x C 16.5077 -21.9710
40 C1x C 15.3182 -21.2713
41 C1x C 15.3182 -19.8718
42 C1x C 16.5777 -19.1721
43 X Cl 39.1792 -23.9303
BOND 46
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 2 14 1
16 14 15 1
17 14 16 2
18 11 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 18 23 1
26 21 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 21 28 1
32 24 29 2
33 28 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 27 34 2
38 26 35 1
39 35 36 1
40 35 37 1 #Up
41 36 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 41 42 1
46 36 42 1
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|---|
