Entry |
|
Name |
Enalkiren (USAN/INN) |
Formula |
C35H56N6O6
|
Exact mass |
656.4261
|
Mol weight |
656.86
|
Structure |

|
Simcomp |
|
Class |
|
Remark |
|
Efficacy |
Antihypertensive, Renin inhibitor |
Target |
|
Pathway |
|
Interaction |
|
Structure map |
map07217 | Renin-angiotensin system inhibitors |
|
Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01923 Renin inhibitor
D03738 Enalkiren
DG03231 Antihypertensive
DG01923 Renin inhibitor
D03738 Enalkiren
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Aspartic peptidases
Pepsin family
REN
D03738 Enalkiren (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 47
1 C1c C 30.1280 -16.6063
2 C1b C 30.1280 -17.9374
3 C5a C 31.3890 -15.9057
4 N1b N 28.9370 -15.9057
5 C8y C 31.1788 -18.7781
6 N1b N 32.5800 -16.6063
7 O5a O 31.3890 -14.5046
8 C5a C 27.7460 -16.6063
9 C8x C 31.1390 -20.1892
10 N5x N 32.5674 -18.3930
11 C1c C 33.7710 -15.9057
12 C1c C 26.4850 -15.9057
13 O5a O 27.7460 -18.0074
14 N4x N 32.4850 -20.7130
15 C8x C 33.3386 -19.5502
16 C1b C 33.7710 -13.8742
17 C1c C 35.0320 -16.6063
18 C1b C 26.4850 -14.5046
19 N1b N 25.2940 -16.6063
20 C1y C 34.7518 -13.0335
21 C1c C 36.2230 -15.9057
22 O1a O 35.0319 -17.7973
23 C8y C 27.7460 -13.8040
24 C5a C 24.0330 -15.9057
25 C1x C 35.9427 -13.7340
26 C1x C 34.7518 -11.6323
27 C1b C 37.4140 -16.6063
28 C8x C 28.9370 -14.5046
29 C8x C 27.7460 -12.4028
30 C1b C 22.8420 -16.6063
31 O5a O 24.0330 -14.5046
32 C1x C 37.1337 -13.0335
33 C1x C 35.9427 -10.9317
34 C1c C 38.6750 -15.9057
35 C8x C 30.1280 -13.8040
36 C8x C 28.9370 -11.7023
37 C1d C 21.6510 -15.9057
38 C1x C 37.1337 -11.6323
39 C1a C 39.8660 -16.6063
40 C1a C 38.6750 -14.5046
41 C8y C 30.1280 -12.4028
42 O2a O 31.3890 -11.7023
43 C1a C 32.5687 -12.3965
44 O1a O 36.2233 -14.4904
45 N1a N 20.4386 -15.2057
46 C1a C 22.3574 -14.6938
47 C1a C 20.9477 -17.1125
BOND 49
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 #Up
16 11 17 1
17 12 18 1 #Up
18 12 19 1
19 16 20 1
20 17 21 1
21 17 22 1 #Down
22 18 23 1
23 19 24 1
24 20 25 1
25 20 26 1
26 21 27 1
27 23 28 2
28 23 29 1
29 24 30 1
30 24 31 2
31 25 32 1
32 26 33 1
33 27 34 1
34 28 35 1
35 29 36 2
36 30 37 1
37 32 38 1
38 34 39 1
39 34 40 1
40 35 41 2
41 41 42 1
42 14 15 1
43 33 38 1
44 36 41 1
45 42 43 1
46 21 44 1 #Up
47 37 45 1
48 37 46 1
49 37 47 1
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