| Entry |
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| Name |
Setmelanotide hydrochloride (USAN) |
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| Formula |
C49H68N18O9S2. xHCl
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| Structure |
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| Remark |
| Product (DG03132): | D11928<US> |
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| Efficacy |
Antiobesity, Melanocortin receptor 4 agonist |
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| Comment |
Treatment of obesity
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| Target |
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A08 ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08A ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08AA Centrally acting antiobesity products
A08AA12 Setmelanotide
D11929 Setmelanotide hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Melanocortin
MC4R
D11929 Setmelanotide hydrochloride (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 79
1 C1a C 11.7838 -14.0985
2 C1c C 13.0463 -14.8700
3 N1b N 14.1686 -14.0985
4 N1a N 16.5534 -14.0985
5 C5a C 17.7458 -14.8700
6 C1c C 18.9382 -14.0985
7 N1b N 20.2007 -14.8700
8 C5a C 13.0463 -16.2728
9 N1b N 14.1686 -16.9742
10 O5a O 11.7838 -16.9742
11 C1c C 14.1686 -18.3770
12 C5a C 14.1686 -12.6956
13 O5a O 12.9762 -12.0644
14 C1b C 18.9382 -12.6956
15 O5a O 17.7458 -16.2728
16 C5a C 20.2007 -16.2728
17 C1c C 21.3931 -16.9742
18 O5a O 19.0083 -16.9742
19 C1b C 22.5154 -16.2728
20 N1b N 21.3931 -18.3770
21 C5a C 20.2007 -19.0785
22 O5a O 18.9382 -18.3770
23 C1c C 20.2007 -20.4111
24 C8y C 23.6376 -16.9742
25 C8x C 23.6376 -18.3770
26 N4x N 24.9703 -18.7277
27 C8y C 25.7418 -17.6756
28 C8y C 24.9703 -16.4832
29 C8x C 27.1446 -17.6756
30 C8x C 27.8461 -16.4131
31 C8x C 27.1446 -15.2207
32 C8x C 25.7418 -15.2207
33 C1b C 21.3931 -21.1125
34 N1b N 19.0083 -21.1125
35 C5a C 17.7458 -20.4111
36 C1c C 16.5534 -21.1125
37 O5a O 17.7458 -19.0785
38 C1b C 22.5855 -20.4111
39 C1b C 23.6376 -21.1125
40 N1b N 24.8300 -20.4111
41 C2c C 26.0224 -21.1125
42 N1a N 27.2148 -20.4111
43 N2a N 26.0224 -22.4452
44 N1b N 15.3610 -20.4111
45 C1b C 16.5534 -22.4452
46 C8y C 17.8159 -23.1466
47 C8x C 17.8159 -24.5494
48 C8x C 19.0083 -25.2508
49 C8x C 20.2708 -24.5494
50 C8x C 20.2708 -23.1466
51 C8x C 19.0083 -22.4452
52 C5a C 15.3610 -19.0785
53 O5a O 16.6235 -18.3069
54 C1b C 13.0463 -19.0785
55 C8y C 13.0463 -20.4111
56 C8x C 11.9241 -21.2528
57 N5x N 12.3449 -22.5154
58 C8x C 13.7477 -22.5154
59 N4x N 14.1686 -21.1827
60 C1c C 15.3610 -11.9241
61 S3a S 17.7458 -11.9241
62 S3a S 17.7458 -10.5914
63 C1b C 15.3610 -10.5914
64 N1b N 14.1686 -11.2928
65 C5a C 14.1686 -9.8900
66 C1c C 12.9762 -9.1886
67 O5a O 15.3610 -9.1886
68 N1b N 11.7838 -9.9601
69 C1b C 12.9762 -7.7858
70 C5a C 10.5914 -9.2587
71 C1a C 9.3990 -9.9601
72 O5a O 10.5914 -7.8559
73 C1b C 14.1686 -7.0844
74 C1b C 15.2908 -7.7858
75 N1b N 16.4832 -7.0844
76 C2c C 17.6756 -7.7858
77 N1a N 18.8680 -7.0844
78 N2a N 17.6756 -9.1886
79 X Cl 26.6700 -10.0100
BOND 82
1 2 1 1 #Up
2 2 3 1
3 4 5 1
4 6 5 1 #Down
5 6 7 1
6 2 8 1
7 8 9 1
8 8 10 2
9 9 11 1
10 3 12 1
11 12 13 2
12 6 14 1
13 5 15 2
14 7 16 1
15 16 17 1
16 16 18 2
17 17 19 1 #Down
18 17 20 1
19 20 21 1
20 21 22 2
21 21 23 1
22 19 24 1
23 24 25 2
24 25 26 1
25 26 27 1
26 27 28 1
27 24 28 1
28 27 29 2
29 29 30 1
30 30 31 2
31 31 32 1
32 32 28 2
33 23 33 1 #Down
34 23 34 1
35 34 35 1
36 35 36 1
37 35 37 2
38 33 38 1
39 38 39 1
40 39 40 1
41 40 41 1
42 41 42 1
43 41 43 2
44 36 44 1
45 36 45 1 #Up
46 45 46 1
47 46 47 2
48 47 48 1
49 48 49 2
50 49 50 1
51 50 51 2
52 46 51 1
53 44 52 1
54 52 11 1
55 52 53 2
56 11 54 1 #Down
57 54 55 1
58 55 56 2
59 56 57 1
60 57 58 2
61 58 59 1
62 55 59 1
63 12 60 1
64 61 14 1
65 61 62 1
66 60 63 1
67 62 63 1
68 60 64 1 #Up
69 64 65 1
70 65 66 1
71 65 67 2
72 66 68 1 #Up
73 66 69 1
74 68 70 1
75 70 71 1
76 70 72 2
77 69 73 1
78 73 74 1
79 74 75 1
80 75 76 1
81 76 77 1
82 76 78 2
BRACKET 1 24.5000 -10.8500 24.5000 -8.9600
1 28.2800 -8.9600 28.2800 -10.8500
1 x
ORIGINAL 1 79
REPEAT 1
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