| Entry |
|
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| Name |
Buserelin (INN);
Tiloryth (TN) |
|---|
| Formula |
C60H86N16O13
|
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| Exact mass |
1238.656
|
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| Mol weight |
1239.4242
|
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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 (DG00729): | D01831<JP> |
|
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| Efficacy |
Anti-endometriosis, Gonadotropin-releasing hormone receptor agonist |
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02A HORMONES AND RELATED AGENTS
L02AE Gonadotropin releasing hormone analogues
L02AE01 Buserelin
D07259 Buserelin (INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00729 Buserelin
D07259 Buserelin
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D07259 Buserelin (INN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00729 Buserelin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 89
1 C1y C 39.8586 -18.5649
2 N1y N 38.4574 -18.5649
3 C1x C 38.0370 -19.8961
4 C1x C 39.1580 -20.7368
5 C1x C 40.2790 -19.8961
6 C8x C 21.7829 -12.8900
7 C8x C 21.0823 -11.6990
8 C8x C 19.6811 -11.6990
9 C8x C 18.9805 -12.8900
10 C8y C 21.0823 -14.0810
11 C8y C 19.6811 -14.0810
12 C8y C 19.2607 -15.4122
13 C8x C 20.3817 -16.1829
14 N4x N 21.5027 -15.4122
15 C1b C 36.0753 -20.4566
16 C5a C 19.2607 -18.6350
17 N1b N 20.4518 -17.9344
18 C1c C 21.6428 -18.6350
19 C5a C 22.8338 -17.9344
20 N1b N 24.0249 -18.6350
21 C1c C 25.2159 -17.9344
22 C5a C 26.4069 -18.6350
23 N1b N 27.5980 -17.9344
24 C1c C 28.7890 -18.6350
25 C5a C 29.9800 -17.9344
26 N1b N 31.2411 -18.6350
27 C1c C 32.4322 -17.9344
28 C5a C 33.6232 -18.6350
29 N1b N 34.8843 -17.9344
30 C1c C 36.0753 -18.6350
31 C5a C 37.2664 -17.9344
32 O5a O 22.8338 -16.6032
33 C1b C 25.2159 -16.2529
34 C8y C 26.4069 -15.5523
35 C8x C 27.5980 -16.1829
36 C8x C 28.7890 -15.5523
37 C8y C 28.7890 -14.1511
38 C8x C 27.5980 -13.4505
39 C8x C 26.4069 -14.1511
40 O1a O 29.9800 -13.4505
41 O5a O 26.4069 -20.0362
42 C1b C 28.7890 -20.0362
43 O5a O 29.9800 -16.5332
44 O5a O 37.2664 -16.5332
45 O5a O 33.6232 -19.9661
46 C1c C 18.0697 -17.9344
47 N1b N 16.8787 -18.6350
48 C5a C 15.6176 -17.9344
49 C1c C 14.4265 -18.6350
50 N1b N 13.2355 -17.9344
51 C5a C 12.0444 -18.6350
52 O5a O 19.2607 -20.0362
53 C1b C 18.0697 -16.1829
54 O5a O 15.6176 -16.6032
55 C1b C 14.4265 -20.0362
56 C8y C 15.6176 -20.7368
57 N4x N 15.6176 -22.1380
58 C8x C 16.9487 -22.5584
59 N5x N 17.7894 -21.5075
60 C8x C 17.0188 -20.3164
61 O5a O 12.0444 -20.0362
62 C1b C 21.6428 -20.0362
63 O1a O 22.8338 -20.7368
64 O2a O 27.5980 -20.6668
65 C1d C 27.5980 -22.0680
66 C1a C 27.5980 -23.4692
67 C1y C 10.8534 -17.9344
68 N1x N 10.8534 -16.6032
69 C5x C 9.5223 -16.1829
70 C1x C 8.6815 -17.3038
71 C1x C 9.5223 -18.4248
72 O5x O 9.1019 -14.8517
73 C1a C 26.2668 -22.0680
74 C1a C 28.9992 -22.0680
75 C1b C 37.2664 -21.1572
76 C1b C 37.2664 -22.5584
77 N1b N 36.0753 -23.1889
78 C2c C 34.8843 -22.4183
79 N1a N 33.6232 -23.0488
80 N2a N 34.8843 -21.0171
81 C5a C 41.0497 -17.8643
82 N1b N 42.2407 -18.5649
83 O5a O 41.0497 -16.4631
84 C1b C 43.4317 -17.8643
85 C1a C 44.6228 -18.5649
86 C1b C 32.4322 -16.5332
87 C1c C 33.6933 -15.8325
88 C1a C 34.8843 -16.5332
89 C1a C 33.6933 -14.4313
BOND 94
1 34 35 2
2 35 36 1
3 36 37 2
4 37 38 1
5 38 39 2
6 39 34 1
7 37 40 1
8 22 41 2
9 24 42 1 #Up
10 16 17 1
11 25 43 2
12 17 18 1
13 18 19 1
14 28 45 2
15 30 15 1 #Down
16 1 2 1
17 31 44 2
18 19 20 1
19 2 3 1
20 16 46 1
21 20 21 1
22 46 47 1
23 3 4 1
24 47 48 1
25 21 22 1
26 48 49 1
27 4 5 1
28 49 50 1
29 22 23 1
30 50 51 1
31 5 1 1
32 16 52 2
33 23 24 1
34 46 53 1 #Up
35 6 7 2
36 48 54 2
37 24 25 1
38 49 55 1 #Down
39 7 8 1
40 55 56 1
41 25 26 1
42 8 9 2
43 26 27 1
44 9 11 1
45 56 57 1
46 57 58 1
47 58 59 2
48 59 60 1
49 60 56 2
50 27 28 1
51 51 61 2
52 10 6 1
53 18 62 1 #Down
54 28 29 1
55 62 63 1
56 53 12 1
57 42 64 1
58 29 30 1
59 64 65 1
60 30 31 1
61 31 2 1
62 65 66 1
63 19 32 2
64 21 33 1 #Up
65 33 34 1
66 67 51 1 #Down
67 10 11 2
68 11 12 1
69 12 13 2
70 13 14 1
71 67 68 1
72 68 69 1
73 69 70 1
74 70 71 1
75 67 71 1
76 14 10 1
77 69 72 2
78 65 73 1
79 65 74 1
80 15 75 1
81 75 76 1
82 76 77 1
83 77 78 1
84 78 79 1
85 78 80 2
86 81 82 1
87 1 81 1 #Down
88 81 83 2
89 82 84 1
90 84 85 1
91 27 86 1 #Up
92 86 87 1
93 87 88 1
94 87 89 1
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