| Entry |
|
|---|
| Name |
Relamorelin (USAN/INN) |
|---|
| Formula |
C43H50N8O5S
|
|---|
| Exact mass |
790.3625
|
|---|
| Mol weight |
790.97
|
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| Structure |
|
|---|
| Efficacy |
Laxative, Growth hormone secretagogue receptor (GHSR) agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Ghrelin
GHSR
D10660 Relamorelin (USAN/INN)
|
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| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 57
1 O5a O 19.5295 -13.5095
2 C1c C 22.3294 -15.7494
3 C5a C 21.6294 -14.5595
4 C1b C 23.7293 -15.7494
5 C8y C 24.4293 -14.5595
6 N1b N 22.3294 -13.2995
7 C8x C 23.7293 -13.2995
8 C8x C 25.8292 -14.5595
9 C8x C 26.5292 -13.2995
10 C8x C 25.8292 -12.1096
11 C8x C 24.4293 -12.1096
12 C1z C 21.2794 -11.9696
13 C1x C 22.5393 -11.3396
14 C1x C 22.6793 -10.0097
15 N1x N 21.4894 -9.1697
16 C1x C 20.2294 -9.7997
17 C1x C 20.1594 -11.1996
18 C5a C 20.0894 -12.6696
19 N1a N 19.1095 -11.6896
20 O5a O 20.2294 -14.5595
21 N1b N 18.1995 -18.3393
22 C5a C 17.4996 -17.0794
23 C1c C 16.0996 -17.0794
24 C1b C 15.3996 -15.8894
25 C8y C 13.9997 -15.8894
26 C8y C 13.1597 -14.7695
27 C8y C 11.8298 -15.1895
28 S2x S 11.8298 -16.5894
29 C8x C 13.1597 -17.0094
30 C8x C 13.4397 -13.3695
31 C8x C 12.3898 -12.4596
32 C8x C 11.1298 -12.8796
33 C8x C 10.7798 -14.2795
34 O5a O 18.1995 -15.8894
35 C1c C 19.5995 -18.3393
36 C5a C 20.2994 -17.0794
37 O5a O 19.5995 -15.8894
38 N1b N 21.6994 -17.0794
39 C1b C 20.2994 -19.5293
40 C8y C 21.6994 -19.5293
41 C8x C 22.3994 -18.3393
42 C8y C 22.6093 -20.5792
43 C8y C 23.9393 -20.0193
44 N4x N 23.7993 -18.6193
45 C8x C 22.4693 -21.9792
46 C8x C 23.5893 -22.7491
47 C8x C 24.9192 -22.1892
48 C8x C 25.0592 -20.7892
49 C1x C 13.9997 -23.1691
50 N1x N 15.3996 -23.1691
51 C1x C 16.0996 -21.9792
52 C1y C 15.3996 -20.7192
53 C1x C 13.9997 -20.7192
54 C1x C 13.2997 -21.9792
55 C5a C 16.0996 -19.5293
56 N1b N 15.3996 -18.3393
57 O5a O 17.4996 -19.5293
BOND 63
1 2 3 1
2 2 4 1
3 4 5 1
4 3 6 1
5 5 7 1
6 5 8 2
7 8 9 1
8 9 10 2
9 10 11 1
10 7 11 2
11 6 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 12 17 1
18 12 18 1
19 18 19 1
20 18 1 2
21 3 20 2
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 25 29 2
31 26 30 2
32 30 31 1
33 31 32 2
34 32 33 1
35 27 33 2
36 22 34 2
37 21 35 1
38 35 36 1 #Up
39 36 37 2
40 36 38 1
41 35 39 1
42 39 40 1
43 40 41 2
44 40 42 1
45 42 43 1
46 43 44 1
47 41 44 1
48 42 45 2
49 45 46 1
50 46 47 2
51 47 48 1
52 43 48 2
53 2 38 1 #Down
54 49 50 1
55 50 51 1
56 51 52 1
57 52 53 1
58 53 54 1
59 49 54 1
60 52 55 1
61 55 56 1
62 55 57 2
63 23 56 1 #Down
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