| Entry |
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| Name |
Nafarelin (INN) |
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| Formula |
C66H83N17O13
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| Exact mass |
1321.6356
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| Mol weight |
1322.4713
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| Structure |
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| Simcomp |
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| Class |
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
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| Remark |
| Product (DG00500): | D00990<JP/US> |
|
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| Efficacy |
Anti-endometriosis, Gonadotropin-releasing hormone receptor agonist |
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| Comment |
Nafarelin cause downregulation of gonadotropin-releasing hormone (GnRH) receptor.
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| Target |
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
H01C HYPOTHALAMIC HORMONES
H01CA Gonadotropin-releasing hormones
H01CA02 Nafarelin
D08241 Nafarelin (INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00500 Nafarelin
D08241 Nafarelin
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D08241 Nafarelin (INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00500 Nafarelin
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| Other DBs |
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| KCF data |
ATOM 96
1 C8y C 12.4549 -13.1061
2 C8y C 12.8792 -11.7626
3 C1b C 11.2528 -13.8133
4 C8x C 13.5864 -13.9547
5 C8y C 14.2228 -11.7626
6 C8x C 12.1720 -10.6311
7 C1c C 11.2528 -15.2275
8 N4x N 14.7178 -13.1061
9 C8x C 14.9299 -10.5604
10 C8x C 12.8085 -9.3584
11 N1b N 10.0507 -15.9346
12 C5a C 12.4549 -15.9346
13 C8x C 14.2228 -9.3584
14 C5a C 8.8486 -15.2275
15 N1b N 13.6571 -15.2275
16 O5a O 12.4549 -17.2783
17 C1c C 7.6464 -15.9346
18 O5a O 8.8486 -13.8133
19 C1c C 14.8592 -15.9346
20 C1b C 7.6464 -17.2783
21 N1b N 6.4444 -15.2275
22 C5a C 16.0613 -15.2275
23 C1b C 14.8592 -17.2783
24 C8y C 8.8489 -17.9892
25 C5a C 5.2422 -15.9346
26 N1b N 17.2635 -15.9346
27 O5a O 16.0613 -13.8133
28 O1a O 16.0613 -17.9853
29 C8x C 10.1858 -17.5980
30 N5x N 8.8008 -19.4097
31 C1y C 3.9723 -15.2258
32 O5a O 5.2422 -17.2783
33 C1c C 18.4656 -15.2275
34 N4x N 10.9556 -18.7717
35 C8x C 10.0947 -19.8689
36 C1x C 2.7246 -15.6823
37 N1x N 3.9574 -13.8046
38 C1b C 18.4656 -13.8133
39 C5a C 19.6677 -15.9346
40 C1x C 1.8330 -14.5377
41 C5x C 2.6444 -13.4032
42 C8y C 19.6677 -13.1061
43 N1b N 20.8698 -15.2275
44 O5a O 19.6677 -17.1368
45 O5x O 2.1941 -12.0851
46 C8x C 20.8698 -13.8133
47 C8x C 19.6677 -11.6919
48 C1c C 22.0720 -15.9346
49 C8x C 22.0720 -13.1061
50 C8x C 20.8698 -11.0554
51 C1b C 22.0720 -18.1267
52 C5a C 23.3448 -15.2275
53 C8y C 22.0720 -11.6919
54 C8y C 20.9405 -18.8339
55 N1b N 24.5469 -15.9346
56 O5a O 23.3448 -13.8133
57 O1a O 23.2741 -11.0554
58 C8x C 20.9405 -20.1775
59 C8x C 19.7385 -18.1267
60 C1c C 25.7490 -15.2275
61 C8y C 19.7385 -20.8846
62 C8x C 18.5363 -18.8339
63 C5a C 26.9512 -15.9346
64 C1b C 25.7490 -13.8133
65 C8y C 18.5363 -20.1775
66 C8x C 19.7385 -22.2989
67 N1b N 28.1534 -15.2275
68 O5a O 26.9512 -17.2783
69 C1c C 26.9512 -13.1061
70 C8x C 17.3342 -20.8846
71 C8x C 18.5363 -23.0060
72 C1c C 29.3554 -15.9346
73 C1a C 28.1534 -13.8133
74 C1a C 26.9512 -11.6919
75 C8x C 17.3342 -22.2989
76 C5a C 30.5576 -15.2275
77 C1b C 29.3554 -17.2783
78 N1y N 31.7597 -15.9346
79 O5a O 30.5576 -13.8133
80 C1b C 28.1534 -17.9853
81 C1y C 33.1740 -15.9346
82 C1x C 31.3354 -17.2075
83 C1b C 28.1534 -19.3996
84 C1x C 33.5983 -17.2783
85 C5a C 34.3761 -15.2275
86 C1x C 32.4668 -18.0560
87 N1b N 26.9512 -20.1068
88 N1b N 35.5782 -15.9346
89 O5a O 34.3761 -13.8133
90 C2c C 25.7490 -19.3996
91 N1a N 25.7490 -17.9853
92 N2a N 24.5469 -20.1068
93 C1b C 36.8031 -15.2407
94 C5a C 38.0481 -15.9322
95 N1a N 39.2593 -15.2055
96 O5a O 38.0713 -17.3600
BOND 103
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1
11 7 12 1
12 9 13 2
13 11 14 1
14 12 15 1
15 12 16 2
16 14 17 1
17 14 18 2
18 15 19 1
19 17 20 1
20 17 21 1
21 19 22 1
22 19 23 1
23 20 24 1
24 21 25 1
25 22 26 1
26 22 27 2
27 23 28 1
28 24 29 2
29 24 30 1
30 25 31 1
31 25 32 2
32 26 33 1
33 29 34 1
34 30 35 2
35 31 36 1
36 31 37 1
37 33 38 1
38 33 39 1
39 36 40 1
40 37 41 1
41 38 42 1
42 39 43 1
43 39 44 2
44 41 45 2
45 42 46 2
46 42 47 1
47 43 48 1
48 46 49 1
49 47 50 2
50 48 51 1
51 48 52 1
52 49 53 2
53 51 54 1
54 52 55 1
55 52 56 2
56 53 57 1
57 54 58 2
58 54 59 1
59 55 60 1
60 58 61 1
61 59 62 2
62 60 63 1
63 60 64 1
64 61 65 2
65 61 66 1
66 63 67 1
67 63 68 2
68 64 69 1
69 65 70 1
70 66 71 2
71 67 72 1
72 69 73 1
73 69 74 1
74 70 75 2
75 72 76 1
76 72 77 1
77 76 78 1
78 76 79 2
79 77 80 1
80 78 81 1
81 78 82 1
82 80 83 1
83 81 84 1
84 81 85 1
85 82 86 1
86 83 87 1
87 85 88 1
88 85 89 2
89 87 90 1
90 90 91 1
91 90 92 2
92 5 8 1
93 10 13 1
94 34 35 1
95 40 41 1
96 50 53 1
97 62 65 1
98 71 75 1
99 84 86 1
100 88 93 1
101 93 94 1
102 94 95 1
103 94 96 2
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