| Entry |
|
|---|
| Name |
Dersimelagon (USAN/INN) |
|---|
| Formula |
C36H45F4N3O5
|
|---|
| Exact mass |
675.3295
|
|---|
| Mol weight |
675.7532
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Melanocortin 1 receptor agonist |
|---|
| Comment |
Prevention of phototoxicity in adults and adolescents with Erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Melanocortin
MC1R
D12147 Dersimelagon (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 48
1 N1y N 18.8300 -17.2900
2 C1x C 18.8300 -18.6900
3 C1x C 20.0200 -19.3900
4 C1y C 21.2800 -18.6900
5 C1x C 21.2800 -17.2900
6 C1x C 20.0200 -16.5900
7 C6a C 22.4700 -19.3900
8 O6a O 23.6600 -18.6900
9 O6a O 22.4700 -20.7900
10 C8y C 17.6400 -16.5900
11 C8y C 17.6400 -15.1900
12 C8x C 16.3800 -14.4900
13 C8x C 15.1900 -15.1900
14 C8y C 15.1900 -16.5900
15 C8x C 16.3800 -17.2900
16 C1d C 14.0000 -17.2900
17 X F 12.7400 -17.9900
18 X F 13.3000 -16.1000
19 X F 14.7000 -18.4800
20 C1y C 18.8300 -14.4900
21 C1x C 20.2300 -14.4900
22 N1y N 20.7200 -13.2300
23 C1x C 19.6000 -12.3900
24 C1y C 18.4800 -13.1600
25 C5a C 21.9100 -12.5300
26 C1z C 23.1000 -13.2300
27 C1x C 23.5200 -14.5600
28 N1y N 24.9200 -14.5600
29 C1x C 25.3400 -13.3000
30 C1y C 24.2200 -12.4600
31 C1y C 25.6900 -15.7500
32 C1x C 25.2000 -17.0800
33 C1x C 26.3900 -17.9200
34 C1x C 27.5100 -17.0800
35 C1x C 27.0900 -15.7500
36 C8x C 25.4100 -10.3600
37 C8y C 25.4100 -11.7600
38 C8x C 26.6000 -12.4600
39 C8x C 27.8600 -11.7600
40 C8y C 27.8600 -10.3600
41 C8x C 26.6000 -9.6600
42 O2a O 29.0500 -9.6600
43 C1a C 30.3100 -10.3600
44 X F 21.9800 -14.0700
45 O5a O 21.9100 -11.1300
46 C1b C 17.2900 -12.4600
47 O2a O 16.1000 -13.1600
48 C1a C 14.9100 -12.4600
BOND 53
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 7 9 2
10 1 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 14 16 1
18 16 17 1
19 16 18 1
20 16 19 1
21 20 11 1 #Down
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 20 24 1
27 26 25 1 #Up
28 25 22 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 26 30 1
34 28 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 31 35 1
40 36 37 2
41 37 38 1
42 38 39 2
43 39 40 1
44 40 41 2
45 36 41 1
46 30 37 1 #Down
47 40 42 1
48 42 43 1
49 26 44 1 #Down
50 25 45 2
51 24 46 1 #Up
52 46 47 1
53 47 48 1
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|---|
