| Entry |
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| Name |
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| Formula |
C36H47N5O4
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| Exact mass |
613.3628
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| Mol weight |
613.79
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| Structure |
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| Remark |
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| Pathway |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AE Protease inhibitors
J05AE02 Indinavir
C07051 Indinavir
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00654 Indinavir
C07051 Indinavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00654 Indinavir
C07051 Indinavir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00654 Indinavir
C07051 Indinavir
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| Other DBs |
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| KCF data |
ATOM 45
1 C8y C 31.2276 -17.0216
2 C1y C 30.1791 -16.0837
3 C8y C 32.4451 -16.3109
4 C8x C 31.2334 -18.4254
5 C1y C 30.7499 -14.8022
6 N1b N 29.0083 -16.8234
7 C1x C 32.1479 -14.9419
8 C8x C 33.6566 -17.0216
9 C8x C 32.4451 -19.1187
10 O1a O 30.0392 -13.5905
11 C5a C 27.6742 -16.0371
12 C8x C 33.6626 -18.4196
13 C1c C 26.4627 -16.7420
14 O5a O 27.6742 -14.6390
15 C1b C 26.4627 -18.1458
16 C1b C 25.2452 -16.0371
17 C8y C 27.6742 -18.8389
18 C1c C 24.0337 -16.7420
19 C8x C 27.6685 -20.2370
20 C8x C 28.8743 -18.1399
21 C1b C 22.8162 -16.0430
22 O1a O 24.0337 -18.1458
23 C8x C 28.8800 -20.9419
24 C8x C 30.0918 -18.8389
25 N1y N 21.6045 -16.7478
26 C8x C 30.0918 -20.2370
27 C1y C 20.3929 -16.0430
28 C1x C 21.6045 -18.1458
29 C1x C 19.1871 -16.7478
30 C5a C 20.3870 -14.4349
31 C1x C 20.3929 -18.8448
32 N1y N 19.1929 -18.1458
33 N1b N 19.1812 -13.7359
34 O5a O 21.6045 -13.7359
35 C1b C 17.9813 -18.8448
36 C1d C 17.9697 -14.4349
37 C8y C 16.7639 -18.1458
38 C1a C 16.6823 -15.1980
39 C1a C 18.5988 -15.4776
40 C1a C 17.3173 -13.2758
41 C8x C 16.7639 -16.7478
42 C8x C 15.5581 -18.8448
43 C8x C 15.5581 -16.0430
44 N5x N 14.3406 -18.1458
45 C8x C 14.3406 -16.7478
BOND 49
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1 #Down
10 6 11 1
11 8 12 2
12 11 13 1
13 11 14 2
14 13 15 1 #Down
15 13 16 1
16 15 17 1
17 16 18 1
18 17 19 2
19 17 20 1
20 18 21 1
21 18 22 1 #Down
22 19 23 1
23 20 24 2
24 21 25 1
25 23 26 2
26 25 27 1
27 25 28 1
28 27 29 1
29 27 30 1 #Up
30 28 31 1
31 29 32 1
32 30 33 1
33 30 34 2
34 32 35 1
35 33 36 1
36 35 37 1
37 36 38 1
38 36 39 1
39 36 40 1
40 37 41 1
41 37 42 2
42 41 43 2
43 42 44 1
44 43 45 1
45 5 7 1
46 9 12 1
47 24 26 1
48 31 32 1
49 44 45 2
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