Entry |
|
Name |
Bevirimat dimeglumine (USAN) |
Formula |
C36H56O6. (C7H17NO5)2
|
Exact mass |
974.6290
|
Mol weight |
975.25
|
Structure |

|
Efficacy |
Antiviral, Maturation inhibitor |
Comment |
Treatment of HIV-1 infection
|
Target |
|
Pathway |
|
Structure map |
|
Brite |
Antimicrobials [BR:br08307]
Antivirals
Virus maturation inhibitor
HIV maturation inhibitor
D06564 Bevirimat dimeglumine (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 68
1 C1a C 42.7000 -32.0600
2 N1b N 43.8900 -31.3600
3 C1b C 45.1500 -32.0600
4 C1c C 46.3400 -31.3600
5 C1c C 47.5300 -32.0600
6 C1c C 48.7200 -31.3600
7 C1c C 49.9800 -32.0600
8 C1b C 51.1700 -31.4300
9 O1a O 52.3600 -32.1300
10 O1a O 46.3400 -29.9600
11 O1a O 47.5300 -33.4600
12 O1a O 48.7200 -29.9600
13 O1a O 49.9800 -33.4600
14 C1x C 28.0700 -32.8300
15 C1y C 28.0700 -34.2300
16 C1z C 29.2824 -34.9300
17 C1y C 30.4949 -34.2300
18 C1z C 30.4949 -32.8300
19 C1x C 29.2824 -32.1300
20 C1x C 31.7073 -34.9300
21 C1x C 32.9197 -34.2300
22 C1z C 32.9197 -32.8300
23 C1y C 31.7073 -32.1300
24 C1z C 34.1322 -32.1300
25 C1y C 34.1322 -30.7300
26 C1x C 32.9197 -30.0300
27 C1x C 31.7073 -30.7300
28 C1x C 35.3446 -32.8300
29 C1x C 36.5570 -32.1300
30 C1z C 36.5570 -30.7300
31 C1y C 35.3446 -30.0300
32 C1x C 37.5975 -29.7932
33 C1x C 37.0280 -28.5142
34 C1y C 35.6357 -28.6606
35 C6a C 37.7695 -31.4300
36 C1a C 33.4797 -31.4300
37 C1a C 30.4949 -31.4300
38 O7a O 26.8576 -34.9300
39 C1a C 34.1322 -33.5300
40 C2c C 34.6810 -27.6007
41 C2a C 33.2866 -27.8980
42 C1a C 35.1163 -26.2599
43 O6a O 39.0046 -30.7166
44 O6a O 37.7696 -32.8297
45 C7a C 25.6621 -34.2396
46 C1b C 24.4747 -34.9251
47 O6a O 25.6620 -32.8303
48 C1d C 23.2835 -34.2371
49 C6a C 22.0940 -34.9238
50 O6a O 20.9039 -34.2365
51 O6a O 22.0938 -36.3298
52 C1a C 24.2734 -33.2471
53 C1a C 22.2935 -33.2471
54 C1a C 28.5824 -36.1424
55 C1a C 29.9824 -36.1424
56 C1a C 42.7000 -32.0600
57 N1b N 43.8900 -31.3600
58 C1b C 45.1500 -32.0600
59 C1c C 46.3400 -31.3600
60 C1c C 47.5300 -32.0600
61 O1a O 47.5300 -33.4600
62 C1c C 48.7200 -31.3600
63 C1c C 49.9800 -32.0600
64 C1b C 51.1700 -31.4300
65 O1a O 52.3600 -32.1300
66 O1a O 49.9800 -33.4600
67 O1a O 48.7200 -29.9600
68 O1a O 46.3400 -29.9600
BOND 70
1 14 15 1
2 15 16 1
3 16 17 1
4 17 18 1
5 18 19 1
6 14 19 1
7 17 20 1
8 20 21 1
9 21 22 1
10 22 23 1
11 18 23 1
12 22 24 1
13 24 25 1
14 25 26 1
15 26 27 1
16 23 27 1
17 24 28 1
18 28 29 1
19 29 30 1
20 30 31 1
21 25 31 1
22 30 32 1
23 32 33 1
24 33 34 1
25 31 34 1
26 30 35 1 #Up
27 22 36 1 #Up
28 18 37 1 #Up
29 15 38 1 #Up
30 24 39 1 #Down
31 34 40 1 #Down
32 40 41 2
33 40 42 1
34 35 43 1
35 35 44 2
36 38 45 1
37 45 46 1
38 45 47 2
39 46 48 1
40 48 49 1
41 49 50 1
42 49 51 2
43 48 52 1
44 48 53 1
45 16 54 1
46 16 55 1
47 6 7 1
48 3 4 1
49 7 8 1
50 8 9 1
51 4 5 1
52 4 10 1 #Down
53 2 3 1
54 5 11 1 #Down
55 5 6 1
56 6 12 1 #Down
57 1 2 1
58 7 13 1 #Up
59 62 63 1
60 58 59 1
61 63 64 1
62 64 65 1
63 59 60 1
64 59 68 1 #Down
65 57 58 1
66 60 61 1 #Down
67 60 62 1
68 62 67 1 #Down
69 56 57 1
70 63 66 1 #Up
BRACKET 1 40.8800 -33.7400 40.8800 -29.4700
1 53.5500 -29.4700 53.5500 -33.7400
1 2
ORIGINAL 1 1 2 3 4 5 11 6 7 8 9 13 12 10
REPEAT 1 60 61 62 63 64 65 66 67 68 69 70 71 72
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