| Entry |
|
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| Name |
Ditekiren (USAN) |
|---|
| Formula |
C50H75N9O8
|
|---|
| Exact mass |
929.5739
|
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| Mol weight |
930.186
|
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| Structure |
|
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| Class |
|
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| Efficacy |
Antihypertensive, Renin inhibitor |
|---|
| Target |
|
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| Pathway |
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| Interaction |
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| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01923 Renin inhibitor
D03741 Ditekiren
DG03231 Antihypertensive
DG01923 Renin inhibitor
D03741 Ditekiren
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Aspartic peptidases
REN
D03741 Ditekiren (USAN)
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| Other DBs |
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| KCF data |
ATOM 67
1 C1c C 33.8800 -11.2000
2 C1b C 33.8800 -12.5300
3 C5a C 35.1400 -10.5000
4 N1c N 32.6900 -10.5000
5 C8y C 34.9300 -13.3700
6 N1b N 36.3300 -11.2000
7 O5a O 35.1400 -9.1000
8 C5a C 31.5000 -11.2000
9 C8x C 35.0700 -14.7700
10 N5x N 36.2600 -12.8100
11 C1c C 37.5200 -10.5000
12 C1c C 30.2400 -10.5000
13 O5a O 31.5000 -12.6000
14 N4x N 36.4700 -15.1200
15 C8x C 37.1700 -13.8600
16 C1c C 38.7800 -11.2000
17 C1b C 30.2400 -8.2600
18 N1b N 29.0500 -11.2000
19 C1b C 39.9700 -10.5000
20 O1a O 38.7100 -12.3900
21 C8y C 31.5000 -7.5600
22 C5a C 27.7900 -10.5000
23 C1c C 41.1600 -11.2000
24 C8x C 32.6900 -8.2600
25 C8x C 31.5000 -6.1600
26 O5a O 27.7900 -9.1000
27 C5a C 42.4200 -10.5000
28 C8x C 33.8800 -7.5600
29 C8x C 32.6900 -5.4600
30 N1b N 43.6800 -11.2000
31 O5a O 42.4200 -9.1000
32 C8x C 33.8800 -6.1600
33 C1b C 37.5200 -9.1000
34 C1c C 38.7100 -8.4000
35 C1a C 38.7100 -7.0000
36 C1c C 41.1600 -12.6000
37 C1a C 39.9000 -13.3000
38 C1a C 42.3500 -13.3000
39 C1c C 44.8700 -10.5000
40 C5a C 46.1300 -11.2000
41 N1b N 47.3200 -10.5000
42 C1b C 48.5100 -11.2000
43 C1c C 44.8700 -9.1000
44 C1a C 43.6800 -8.4000
45 C1b C 46.0600 -8.4000
46 C1a C 46.0600 -7.0000
47 O5a O 46.1300 -12.6000
48 C8y C 49.7000 -10.5000
49 C8x C 49.7000 -9.1000
50 C8x C 50.9600 -8.4000
51 C8x C 52.1500 -9.1000
52 C8x C 52.1500 -10.5000
53 N5x N 50.9600 -11.2000
54 C1a C 39.9700 -9.1000
55 C1a C 32.6900 -9.1000
56 C1y C 26.6000 -11.2000
57 N1y N 25.2000 -11.2000
58 C1x C 24.7800 -12.5300
59 C1x C 25.9000 -13.3700
60 C1x C 27.0200 -12.5300
61 C7a C 24.0100 -10.5000
62 O7a O 22.7500 -11.2000
63 C1d C 21.5600 -10.5000
64 O6a O 24.0100 -9.1000
65 C1a C 20.5800 -9.5200
66 C1a C 22.2600 -9.3100
67 C1a C 20.8600 -11.6900
BOND 70
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 5 10 1
10 6 11 1
11 8 12 1
12 8 13 2
13 9 14 1
14 10 15 2
15 11 16 1
16 12 17 1 #Up
17 12 18 1
18 16 19 1
19 16 20 1 #Down
20 17 21 1
21 18 22 1
22 19 23 1
23 21 24 2
24 21 25 1
25 22 26 2
26 23 27 1
27 24 28 1
28 25 29 2
29 27 30 1
30 27 31 2
31 28 32 2
32 14 15 1
33 29 32 1
34 11 33 1 #Up
35 33 34 1
36 34 35 1
37 23 36 1 #Down
38 36 37 1
39 36 38 1
40 30 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 39 43 1
45 43 44 1 #Up
46 43 45 1
47 45 46 1
48 40 47 2
49 42 48 1
50 48 49 2
51 49 50 1
52 50 51 2
53 51 52 1
54 52 53 2
55 48 53 1
56 34 54 1
57 4 55 1
58 56 22 1
59 56 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 56 60 1
64 57 61 1
65 61 62 1
66 62 63 1
67 61 64 2
68 63 65 1
69 63 66 1
70 63 67 1
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