| Entry |
|
|---|
| Name |
Lutrelin acetate (USAN) |
|---|
| Formula |
C65H85N17O12. C2H4O2
|
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| Exact mass |
1355.6775
|
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| Mol weight |
1356.53
|
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| Structure |
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| Simcomp |
|
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| Class |
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
|
|---|
| Efficacy |
Gonadotropin-releasing hormone receptor agonist |
|---|
| Comment |
LHRH-release-stimulating peptide
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
D04823 Lutrelin acetate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D04823 Lutrelin acetate (USAN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 98
1 C8y C 22.1200 -13.9300
2 C8y C 22.5400 -12.6000
3 C1b C 20.9300 -14.6300
4 C8x C 23.1700 -14.7700
5 C8y C 23.8700 -12.6000
6 C8x C 21.9100 -11.4100
7 C1c C 20.9300 -16.0300
8 N4x N 24.2900 -13.9300
9 C8x C 24.5700 -11.4100
10 C8x C 22.6100 -10.2200
11 N1b N 19.7400 -16.7300
12 C5a C 22.1200 -16.7300
13 C8x C 23.9400 -10.2200
14 C5a C 18.4800 -16.0300
15 N1b N 23.2400 -16.0300
16 O5a O 22.1200 -18.0600
17 C1c C 17.2900 -16.7300
18 O5a O 18.4800 -14.6300
19 C1c C 24.5000 -16.7300
20 C1b C 17.2900 -18.0600
21 N1b N 16.1000 -16.0300
22 C5a C 25.6900 -16.0300
23 C1b C 24.5000 -18.0600
24 C8y C 18.4800 -18.9000
25 C5a C 14.8400 -16.7300
26 N1b N 26.8800 -16.7300
27 O5a O 25.6900 -14.6300
28 N4x N 18.4800 -20.3000
29 C1y C 13.6500 -16.0300
30 O5a O 14.8400 -18.0600
31 C1c C 28.1400 -16.0300
32 C1x C 12.5300 -16.8700
33 N1x N 13.1600 -14.7000
34 C1b C 28.1400 -14.6300
35 C5a C 29.3300 -16.7300
36 C1x C 11.4100 -16.0300
37 C5x C 11.8300 -14.7000
38 C8y C 29.2600 -13.9300
39 N1b N 30.5900 -16.0300
40 O5a O 29.3300 -18.0600
41 O5x O 10.9900 -13.6500
42 C8x C 30.5900 -14.6300
43 C8x C 29.2600 -12.5300
44 C1c C 31.8500 -16.7300
45 C8x C 31.7800 -13.9300
46 C8x C 30.5900 -11.8300
47 C5a C 33.0400 -16.0300
48 C8y C 31.7800 -12.5300
49 N1c N 34.2300 -16.7300
50 O5a O 33.0400 -14.6300
51 O1a O 33.0400 -11.8300
52 C1c C 35.4200 -16.0300
53 C5a C 36.6100 -16.7300
54 C1b C 35.4200 -14.6300
55 N1b N 37.8000 -16.0300
56 O5a O 36.6100 -18.0600
57 C1c C 39.0600 -16.7300
58 C5a C 40.3200 -16.0300
59 C1b C 39.0600 -18.0600
60 N1y N 41.5100 -16.7300
61 O5a O 40.3200 -14.6300
62 C1b C 37.8000 -18.9000
63 C1y C 42.9100 -16.7300
64 C1x C 41.0900 -18.0600
65 C1b C 37.8000 -20.3000
66 C1x C 43.3300 -17.9900
67 C5a C 44.1000 -15.9600
68 C1x C 42.2100 -18.9700
69 N1b N 36.6100 -21.0000
70 N1b N 45.2900 -16.6600
71 O5a O 44.1000 -14.6300
72 C2c C 35.4200 -20.3000
73 N1a N 34.2300 -21.0000
74 N2a N 35.4200 -18.9000
75 C1a C 34.2300 -18.1300
76 C1c C 36.6100 -13.9300
77 C1a C 37.8000 -14.6300
78 C1a C 36.6100 -12.5300
79 C8x C 19.8100 -20.7200
80 N5x N 20.5800 -19.6000
81 C8x C 19.8100 -18.4100
82 C1b C 46.4800 -16.0300
83 C1a C 47.7400 -16.7300
84 C1b C 31.8500 -18.7600
85 C8y C 30.6600 -19.4600
86 C8x C 29.5400 -18.6900
87 N4x N 28.4200 -19.4600
88 C8y C 28.8400 -20.7900
89 C8y C 30.2400 -20.7900
90 C8x C 28.1400 -21.9800
91 C8x C 28.8400 -23.1700
92 C8x C 30.2400 -23.1700
93 C8x C 30.9400 -21.9800
94 O1a O 23.2570 -18.7041
95 C6a C 45.5596 -21.6375
96 C1a C 46.7564 -22.3415
97 O6a O 44.3628 -22.3415
98 O6a O 45.5596 -20.2295
BOND 104
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 7 3 1 #Up
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 #Down
20 17 21 1
21 19 22 1
22 19 23 1 #Down
23 20 24 1
24 21 25 1
25 22 26 1
26 22 27 2
27 24 28 1
28 29 25 1 #Down
29 25 30 2
30 26 31 1
31 29 32 1
32 29 33 1
33 31 34 1 #Up
34 31 35 1
35 32 36 1
36 33 37 1
37 34 38 1
38 35 39 1
39 35 40 2
40 37 41 2
41 38 42 2
42 38 43 1
43 39 44 1
44 42 45 1
45 43 46 2
46 44 47 1
47 45 48 2
48 47 49 1
49 47 50 2
50 48 51 1
51 49 52 1
52 52 53 1
53 52 54 1 #Up
54 53 55 1
55 53 56 2
56 55 57 1
57 57 58 1
58 57 59 1 #Down
59 58 60 1
60 58 61 2
61 59 62 1
62 60 63 1
63 60 64 1
64 62 65 1
65 63 66 1
66 63 67 1 #Down
67 64 68 1
68 65 69 1
69 67 70 1
70 67 71 2
71 69 72 1
72 72 73 1
73 72 74 2
74 5 8 1
75 10 13 1
76 36 37 1
77 46 48 1
78 66 68 1
79 49 75 1
80 76 54 1
81 76 77 1
82 76 78 1
83 28 79 1
84 79 80 2
85 80 81 1
86 24 81 2
87 70 82 1
88 82 83 1
89 44 84 1 #Up
90 84 85 1
91 85 86 2
92 86 87 1
93 87 88 1
94 88 89 1
95 85 89 1
96 88 90 2
97 90 91 1
98 91 92 2
99 92 93 1
100 89 93 2
101 23 94 1
102 95 96 1
103 95 97 1
104 95 98 2
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|---|
