Entry |
|
Name |
Terlakiren (USAN/INN) |
Formula |
C31H48N4O7S
|
Exact mass |
620.3244
|
Mol weight |
620.8004
|
Structure |
|
Class |
|
Efficacy |
Antihypertensive, Renin inhibitor |
Target |
|
Pathway |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01923 Renin inhibitor
D03743 Terlakiren
DG03231 Antihypertensive
DG01923 Renin inhibitor
D03743 Terlakiren
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Aspartic peptidases
REN
D03743 Terlakiren (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 43
1 C1c C 34.0200 -19.6700
2 C1b C 34.0200 -21.0000
3 C5a C 35.2800 -18.9700
4 N1b N 32.8300 -18.9700
5 N1b N 36.4700 -19.6700
6 O5a O 35.2800 -17.5700
7 C5a C 31.6400 -19.6700
8 C1c C 37.6600 -18.9700
9 C1c C 30.3800 -18.9700
10 O5a O 31.6400 -21.0700
11 C1b C 37.6600 -17.0800
12 C1c C 38.9200 -19.6700
13 C1b C 30.3800 -17.5700
14 N1b N 29.1900 -19.6700
15 C1y C 38.6400 -16.2400
16 C7a C 40.1100 -18.9700
17 O1a O 38.8500 -20.8600
18 C8y C 31.6400 -16.8700
19 C5a C 27.9300 -18.9700
20 C1x C 39.8300 -16.9400
21 C1x C 38.6400 -14.8400
22 O7a O 41.3000 -19.6700
23 C8x C 32.8300 -17.5700
24 C8x C 31.6400 -15.4700
25 O5a O 27.9300 -17.5700
26 C1x C 41.0200 -16.2400
27 C1x C 39.8300 -14.1400
28 C1c C 42.5600 -18.9700
29 C8x C 34.0200 -16.8700
30 C8x C 32.8300 -14.7700
31 C1x C 41.0200 -14.8400
32 C1a C 43.8200 -19.6700
33 C1a C 42.5600 -17.5700
34 C8x C 34.0200 -15.4700
35 O6a O 40.1100 -17.5700
36 S2a S 35.2100 -21.7000
37 C1a C 35.2100 -23.1000
38 N1y N 26.7400 -19.6700
39 C1x C 25.4800 -19.0400
40 C1x C 24.2900 -19.7400
41 O2x O 24.2900 -21.1400
42 C1x C 25.5500 -21.8400
43 C1x C 26.7400 -21.0700
BOND 45
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 3 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 7 9 1
9 7 10 2
10 8 11 1 #Up
11 8 12 1
12 9 13 1 #Up
13 9 14 1
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 14 19 1
19 15 20 1
20 15 21 1
21 16 22 1
22 18 23 2
23 18 24 1
24 19 25 2
25 20 26 1
26 21 27 1
27 22 28 1
28 23 29 1
29 24 30 2
30 26 31 1
31 28 32 1
32 28 33 1
33 29 34 2
34 27 31 1
35 30 34 1
36 16 35 2
37 2 36 1
38 36 37 1
39 19 38 1
40 38 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 42 43 1
45 38 43 1
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