| Entry |
|
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| Name |
Triptorelin acetate;
Decapeptyl (TN) |
|---|
| Formula |
C64H82N18O13. C2H4O2
|
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| Exact mass |
1370.6520
|
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| Mol weight |
1371.50
|
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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 (DG00732): | D06248<US> |
|
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| Efficacy |
Antineoplastic, Gonadotropin-releasing hormone receptor agonist |
|---|
| 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
L02AE04 Triptorelin
D08649 Triptorelin acetate
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00732 Triptorelin
D08649 Triptorelin acetate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D08649 Triptorelin acetate
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00732 Triptorelin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 99
1 O6a O 34.8442 -15.0079
2 C6a C 36.0582 -14.3070
3 C1a C 37.2723 -15.0079
4 O6a O 36.0582 -12.9054
5 C1y C 4.4770 -8.0462
6 N1b N 24.9821 -8.8160
7 C5a C 23.7224 -8.1862
8 C1c C 22.5326 -8.8160
9 N1b N 21.3429 -8.1862
10 C5a C 20.1532 -8.8160
11 O5a O 20.1532 -10.1457
12 C1c C 18.9635 -8.1862
13 N1b N 17.7738 -8.8160
14 C5a C 16.6541 -8.1862
15 C1c C 15.3944 -8.8160
16 C1b C 15.3944 -10.4257
17 N1b N 14.2047 -8.1862
18 C5a C 13.0150 -8.8160
19 O5a O 13.0150 -10.1457
20 C1b C 22.5326 -10.9855
21 C8y C 21.3429 -11.6853
22 O5a O 23.7224 -6.7166
23 C1c C 26.1718 -8.1862
24 C5a C 27.2915 -8.8160
25 N1b N 28.5512 -8.1862
26 O5a O 27.2915 -10.1457
27 C1c C 29.7409 -8.8160
28 C5a C 30.9306 -8.1862
29 C1b C 29.7409 -10.1457
30 C1b C 28.5512 -10.8456
31 C1b C 28.5512 -12.2452
32 N1b N 27.3615 -12.8751
33 C2c C 26.1718 -12.2452
34 N2a N 26.1718 -10.7756
35 N1a N 24.9821 -12.9450
36 O5a O 30.9306 -6.7166
37 N1y N 32.0503 -8.8860
38 C1y C 33.5200 -8.8860
39 C1x C 31.7004 -10.1457
40 C1x C 32.9601 -10.8456
41 C1x C 34.0099 -10.0058
42 C1b C 18.9635 -6.5766
43 C8y C 20.1532 -5.9467
44 C8x C 21.2730 -6.5766
45 C8x C 22.5326 -5.9467
46 C8y C 22.5326 -4.5471
47 C8x C 21.3429 -3.8472
48 C8x C 20.1532 -4.5471
49 O1a O 23.7224 -3.8472
50 O5a O 16.6541 -6.7166
51 C1c C 11.8252 -8.1862
52 N1b N 10.5656 -8.8160
53 C5a C 9.3758 -8.1862
54 C1c C 8.2561 -8.8160
55 C1b C 8.2561 -10.6356
56 N1b N 7.0664 -8.1862
57 C5a C 5.7367 -8.8160
58 O5a O 5.7367 -10.1457
59 O5a O 9.3758 -6.7166
60 C8y C 9.3758 -11.3354
61 N4x N 9.3758 -12.7351
62 C8x C 10.6355 -13.1550
63 N5x N 11.5453 -12.1052
64 C8x C 10.6355 -10.9155
65 C1x C 3.1474 -8.4661
66 C1x C 2.3775 -7.2764
67 C5x C 3.1474 -6.2267
68 N1x N 4.4770 -6.5766
69 O5x O 2.6575 -4.9670
70 C1b C 11.8252 -6.7166
71 C8y C 13.0150 -6.0867
72 C8x C 14.0647 -6.7865
73 N4x N 15.1144 -6.0867
74 C8y C 14.6946 -4.8270
75 C8y C 13.4349 -4.8270
76 C8x C 15.4644 -3.5673
77 C8x C 14.6946 -2.3076
78 C8x C 13.4349 -2.3076
79 C8x C 12.7350 -3.5673
80 C8y C 19.4534 -13.0850
81 C8y C 20.9230 -13.0850
82 C8x C 20.2232 -10.8456
83 N4x N 19.0335 -11.6853
84 C8x C 18.7536 -14.2747
85 C8x C 19.4534 -15.5344
86 C8x C 20.9230 -15.5344
87 C8x C 21.6229 -14.2747
88 C1b C 26.1718 -6.7166
89 C1c C 27.3615 -5.9467
90 C1a C 28.6912 -6.6466
91 C1a C 27.3615 -4.5471
92 C5a C 34.7097 -8.1862
93 N1b N 35.8994 -8.8860
94 O5a O 34.7097 -6.7166
95 C1b C 37.1591 -8.1862
96 C5a C 38.3488 -8.8860
97 N1a N 39.5385 -8.1862
98 O5a O 38.3488 -10.2857
99 O1a O 14.1347 -11.1255
BOND 105
1 1 2 1
2 2 3 1
3 2 4 2
4 6 7 1
5 7 8 1
6 8 9 1
7 9 10 1
8 10 11 2
9 10 12 1
10 12 13 1
11 13 14 1
12 14 15 1
13 15 17 1
14 17 18 1
15 18 19 2
16 8 20 1 #Up
17 20 21 1
18 7 22 2
19 23 24 1
20 6 23 1
21 24 25 1
22 24 26 2
23 25 27 1
24 27 28 1
25 27 29 1 #Down
26 29 30 1
27 30 31 1
28 31 32 1
29 32 33 1
30 33 34 2
31 33 35 1
32 28 36 2
33 28 37 1
34 37 38 1
35 37 39 1
36 39 40 1
37 40 41 1
38 38 41 1
39 12 42 1 #Up
40 42 43 1
41 43 44 2
42 44 45 1
43 45 46 2
44 46 47 1
45 47 48 2
46 43 48 1
47 46 49 1
48 14 50 2
49 15 16 1 #Down
50 18 51 1
51 51 52 1
52 52 53 1
53 53 54 1
54 54 56 1
55 56 57 1
56 57 58 2
57 53 59 2
58 54 55 1 #Down
59 55 60 1
60 60 61 1
61 61 62 1
62 62 63 2
63 63 64 1
64 60 64 2
65 5 57 1 #Down
66 5 65 1
67 65 66 1
68 66 67 1
69 67 68 1
70 5 68 1
71 67 69 2
72 51 70 1 #Up
73 70 71 1
74 71 72 2
75 72 73 1
76 73 74 1
77 74 75 1
78 71 75 1
79 74 76 2
80 76 77 1
81 77 78 2
82 78 79 1
83 75 79 2
84 80 81 1
85 81 21 1
86 82 83 1
87 80 83 1
88 80 84 2
89 84 85 1
90 85 86 2
91 86 87 1
92 81 87 2
93 21 82 2
94 23 88 1 #Up
95 88 89 1
96 89 90 1
97 89 91 1
98 92 93 1
99 38 92 1 #Down
100 92 94 2
101 93 95 1
102 95 96 1
103 96 97 1
104 96 98 2
105 16 99 1
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