| Entry |
|
|---|
| Name |
Saralasin acetate (USAN);
Sarenin (TN) |
|---|
| Formula |
C42H65N13O10. (C2H4O2)x. xH2O
|
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| Structure |
|
|---|
| Simcomp |
|
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| Sequence |
CH3-Gly Arg Val Tyr Val His Pro Ala |
|---|
| Type |
Peptide |
|---|
| Class |
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01495 Angiotensin II receptor antagonist
DG03231 Antihypertensive
DG01495 Angiotensin II receptor antagonist
|
|---|
| Efficacy |
Antihypertensive, Angiotensin II receptor antagonist |
|---|
| Comment |
Angiotensin II receptor antagonist, peptide type
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07229 | Angiotensin receptor and endothelin receptor antagonists |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01495 Angiotensin II receptor antagonist
D04126 Saralasin acetate
DG03231 Antihypertensive
DG01495 Angiotensin II receptor antagonist
D04126 Saralasin acetate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Angiotensin
AGTR1
D04126 Saralasin acetate (USAN)
AGTR2
D04126 Saralasin acetate (USAN)
|
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| Other DBs |
|
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| KCF data |
ATOM 70
1 C1b C 26.0027 -16.1354
2 C1c C 26.0027 -14.7326
3 C5a C 24.8104 -14.0312
4 N1b N 27.1951 -14.0312
5 O5a O 23.6180 -14.7326
6 N1y N 24.8104 -12.6284
7 C1y C 23.6881 -11.7867
8 C1x C 24.1089 -10.4540
9 C1x C 25.5118 -10.4540
10 C1x C 25.9326 -11.7867
11 C5a C 22.4957 -12.4881
12 N1b N 21.2332 -11.7867
13 C1c C 20.0408 -12.4881
14 C6a C 18.8484 -11.7867
15 O6a O 17.5859 -12.4881
16 O5a O 22.4957 -13.8909
17 O6a O 18.8484 -10.3839
18 C1a C 20.0408 -13.8909
19 C5a C 28.3875 -14.7326
20 C1c C 29.6500 -14.0312
21 N1b N 30.8424 -14.7326
22 C5a C 32.0348 -14.0312
23 C1c C 33.2974 -14.7326
24 N1b N 34.4897 -14.0312
25 C5a C 35.6821 -14.7326
26 C1c C 36.9447 -14.0312
27 N1b N 38.1371 -14.7326
28 C5a C 39.3294 -14.0312
29 C1c C 40.5920 -14.7326
30 N1b N 41.7844 -14.0312
31 C5a C 42.9767 -14.7326
32 C1b C 44.1691 -14.0312
33 N1b N 45.4317 -14.7326
34 C1a C 46.6241 -14.0312
35 C8y C 24.8805 -16.9771
36 N4x N 24.8805 -18.3799
37 C8x C 23.5478 -18.8008
38 N5x N 22.7061 -17.6785
39 C8x C 23.5478 -16.5563
40 O5a O 28.3875 -16.1354
41 C1c C 29.6500 -12.6284
42 C1a C 30.8424 -11.9270
43 C1a C 28.4577 -11.9270
44 O5a O 32.0348 -12.6284
45 C1b C 33.2974 -16.1354
46 C8y C 32.1050 -16.8368
47 C8x C 32.1050 -18.2396
48 C8x C 30.8424 -18.9410
49 C8y C 29.6500 -18.2396
50 C8x C 29.6500 -16.8368
51 C8x C 30.8424 -16.1354
52 O1a O 28.4577 -18.9410
53 O5a O 35.6821 -16.1354
54 C1c C 36.9447 -12.6284
55 C1a C 38.1371 -11.9270
56 C1a C 35.7523 -11.9270
57 O5a O 39.3294 -12.6284
58 C1b C 40.5920 -16.1354
59 C1b C 39.3996 -16.8368
60 C1b C 39.3996 -18.2396
61 N1b N 38.2072 -18.9410
62 O5a O 42.9767 -16.1354
63 C2c C 36.9895 -18.2445
64 N2a N 36.9895 -16.8417
65 N1a N 35.7973 -18.9363
66 O6a O 44.0305 -17.6136
67 C6a C 44.0305 -19.0164
68 C1a C 42.8157 -19.7178
69 O6a O 45.2454 -19.7178
70 O0 O 49.9110 -18.6773
BOND 70
1 1 2 1
2 2 3 1
3 2 4 1 #Up
4 3 5 2
5 3 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 6 10 1
11 7 11 1 #Down
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 11 16 2
17 14 17 2
18 13 18 1 #Up
19 4 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1 #Up
25 24 25 1
26 25 26 1
27 26 27 1 #Down
28 27 28 1
29 28 29 1
30 29 30 1 #Up
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 1 35 1
36 35 36 1
37 36 37 1
38 37 38 2
39 38 39 1
40 35 39 2
41 19 40 2
42 20 41 1 #Down
43 41 42 1
44 41 43 1
45 22 44 2
46 23 45 1
47 45 46 1
48 46 47 2
49 47 48 1
50 48 49 2
51 49 50 1
52 50 51 2
53 46 51 1
54 49 52 1
55 25 53 2
56 26 54 1
57 54 55 1
58 54 56 1
59 28 57 2
60 29 58 1
61 58 59 1
62 59 60 1
63 60 61 1
64 31 62 2
65 61 63 1
66 63 64 2
67 63 65 1
68 66 67 2
69 67 68 1
70 67 69 1
BRACKET 1 41.0900 -20.5800 41.0900 -16.9400
1 46.4100 -16.9400 46.4100 -20.5800
1 x
ORIGINAL 1 66 67 68 69
REPEAT 1
2 47.8800 -19.5300 47.8800 -17.6400
2 50.4700 -17.6400 50.4700 -19.5300
2 x
ORIGINAL 2 70
REPEAT 2
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