| Entry |
|
|---|
| Name |
Saquinavir (JAN/USP/INN);
Fortovase (TN) |
|---|
| Formula |
C38H50N6O5
|
|---|
| Exact mass |
670.3843
|
|---|
| Mol weight |
670.84
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral, HIV protease inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| ko03260 | Virion - Human immunodeficiency virus |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Structure map |
|
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| Other map |
|
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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
J05AE01 Saquinavir
D00429 Saquinavir (JAN/USP/INN)
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00653 Saquinavir
D00429 Saquinavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00653 Saquinavir
D00429 Saquinavir
Transporter substrate
DG01665 ABCB1 substrate
DG00653 Saquinavir
D00429 Saquinavir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
D00429 Saquinavir (JAN/USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00429
Drug transporters
D00429
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00653 Saquinavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00653 Saquinavir
Transporter substrate
DG01665 ABCB1 substrate
DG00653 Saquinavir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
DG00653 Saquinavir
|
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| Other DBs |
|
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| LinkDB |
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|---|
| KCF data |
ATOM 49
1 N1y N 24.0731 -16.9101
2 C1y C 25.2808 -16.2076
3 C1x C 24.0673 -18.3038
4 C1b C 22.8652 -16.2076
5 C1x C 26.4828 -16.9101
6 C5a C 25.2808 -14.8139
7 C1y C 25.2750 -18.9889
8 C1c C 21.6575 -16.9043
9 C1y C 26.4828 -18.3038
10 N1b N 26.4886 -14.1230
11 O5a O 24.0847 -14.1171
12 C1x C 25.2692 -20.3768
13 C1c C 20.4496 -16.2018
14 O1a O 21.6516 -18.2980
15 C1x C 27.6789 -19.0005
16 C1d C 27.6965 -14.8198
17 C1x C 26.4712 -21.0852
18 C1b C 20.4555 -14.8023
19 N1b N 19.2419 -16.8928
20 C1x C 27.6673 -20.3942
21 C8y C 21.6424 -14.1128
22 C5a C 18.0456 -16.1959
23 C8x C 23.0362 -14.1593
24 C8x C 20.9740 -12.8899
25 C1c C 16.8379 -16.8811
26 O5a O 18.0456 -14.7966
27 C8x C 23.7705 -12.9681
28 C8x C 21.7086 -11.6986
29 N1b N 15.6302 -16.1843
30 C1b C 16.8321 -18.6232
31 C8x C 23.1033 -11.6623
32 C5a C 14.4223 -16.8754
33 C5a C 18.0399 -19.3316
34 C8y C 13.2203 -16.1843
35 O5a O 14.4223 -18.2688
36 N1a N 18.0399 -20.7253
37 O5a O 19.2476 -18.6405
38 N5x N 12.0067 -16.8695
39 C8x C 13.2262 -14.7850
40 C8y C 10.8687 -16.1727
41 C8x C 12.0183 -14.0823
42 C8y C 10.8805 -14.7733
43 C8x C 9.6027 -16.8695
44 C8x C 9.6027 -14.0765
45 C8x C 8.3950 -16.1727
46 C8x C 8.3950 -14.7733
47 C1a C 28.9034 -15.5166
48 C1a C 28.3871 -13.6232
49 C1a C 26.9938 -16.0371
BOND 53
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Up
14 9 15 1
15 10 16 1
16 12 17 1
17 13 18 1 #Up
18 13 19 1
19 15 20 1
20 18 21 1
21 19 22 1
22 21 23 2
23 21 24 1
24 22 25 1
25 22 26 2
26 23 27 1
27 24 28 2
28 25 29 1
29 25 30 1 #Down
30 27 31 2
31 29 32 1
32 30 33 1
33 32 34 1
34 32 35 2
35 33 36 1
36 33 37 2
37 34 38 2
38 34 39 1
39 38 40 1
40 39 41 2
41 40 42 1
42 40 43 2
43 42 44 2
44 43 45 1
45 44 46 1
46 7 9 1
47 17 20 1
48 28 31 1
49 41 42 1
50 45 46 2
51 16 47 1
52 16 48 1
53 16 49 1
|
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