Entry |
|
Name |
Brecanavir (USAN) |
Formula |
C33H41N3O10S2
|
Exact mass |
703.2233
|
Mol weight |
703.8227
|
Structure |
|
Class |
|
Efficacy |
Antiviral, HIV protease inhibitor |
Comment |
Treatment of HIV infections in combination with other antiretroviral agent
|
Target |
|
Pathway |
|
Interaction |
|
Structure map |
|
Brite |
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
D03253 Brecanavir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
D03253 Brecanavir (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 48
1 C1y C 30.5548 -16.0483
2 N1c N 22.0687 -16.6795
3 C1b C 23.2609 -15.9781
4 S4a S 20.8764 -15.9781
5 C1c C 24.5233 -16.6795
6 C8y C 19.6140 -16.6795
7 C1c C 25.7156 -15.9781
8 C1b C 25.7156 -14.5755
9 N1b N 26.9079 -16.6795
10 C8y C 24.5233 -13.8741
11 C7a C 28.1001 -15.9781
12 C8x C 23.2609 -14.5755
13 C8x C 24.5233 -12.4715
14 O7a O 29.3625 -16.6795
15 O6a O 28.1001 -14.5755
16 C8x C 22.0687 -13.8741
17 C8x C 23.2609 -11.7701
18 C8y C 22.0687 -12.4715
19 C8x C 19.6140 -18.0821
20 C8x C 18.4217 -18.7835
21 C8y C 17.2295 -18.0821
22 C8y C 17.2295 -16.6795
23 C8x C 18.4217 -15.9781
24 C1b C 22.0687 -18.0821
25 C1c C 20.8764 -18.8536
26 O1a O 24.4532 -18.0821
27 O3c O 21.8583 -14.9963
28 O3c O 19.8945 -14.9963
29 O2x O 15.8969 -16.2587
30 C1x C 15.0553 -17.3808
31 O2x O 15.8969 -18.5029
32 O2a O 20.8764 -11.7701
33 C1b C 19.6841 -12.4715
34 C8y C 18.4919 -11.7701
35 C8x C 18.4919 -10.3701
36 S2x S 17.1604 -9.9375
37 C8y C 16.3375 -11.0701
38 N5x N 17.1604 -12.2028
39 C1a C 14.9100 -11.0703
40 C1a C 19.6640 -19.5536
41 C1a C 21.5919 -20.0234
42 C1y C 31.8979 -16.4307
43 C1y C 32.6702 -15.2630
44 O2x O 31.7984 -14.1676
45 C1x C 30.4872 -14.6582
46 C1x C 32.7697 -17.5261
47 C1x C 34.0109 -17.0354
48 O2x O 34.0194 -15.6368
BOND 53
1 2 3 1
2 2 4 1
3 3 5 1
4 4 6 1
5 5 7 1
6 7 8 1 #Down
7 7 9 1
8 8 10 1
9 9 11 1
10 10 12 2
11 10 13 1
12 11 14 1
13 11 15 2
14 12 16 1
15 13 17 2
16 16 18 2
17 17 18 1
18 6 19 2
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 6 23 1
24 2 24 1
25 24 25 1
26 5 26 1 #Down
27 4 27 2
28 4 28 2
29 22 29 1
30 29 30 1
31 30 31 1
32 21 31 1
33 18 32 1
34 32 33 1
35 33 34 1
36 1 14 1 #Up
37 34 35 2
38 35 36 1
39 36 37 1
40 37 38 2
41 34 38 1
42 37 39 1
43 25 40 1
44 25 41 1
45 1 42 1
46 42 43 1
47 43 44 1
48 44 45 1
49 1 45 1
50 42 46 1
51 46 47 1
52 47 48 1
53 43 48 1
|