| Entry |
|
|---|
| Name |
Buserelin acetate (JAN/USAN);
Suprecur (TN) |
|---|
| Formula |
C60H86N16O13. C2H4O2
|
|---|
| Exact mass |
1298.6772
|
|---|
| Mol weight |
1299.4762
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
|
|---|
| Remark |
| Therapeutic category: | 2499 |
| Product (DG00729): | D01831<JP> |
|
|---|
| Efficacy |
Anti-endometriosis, Gonadotropin-releasing hormone receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| 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
D01831 Buserelin acetate (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
24 Hormones
249 Miscellaneous
2499 Others
D01831 Buserelin acetate (JAN/USAN)
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00729 Buserelin
D01831 Buserelin acetate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D01831 Buserelin acetate (JAN/USAN) <JP>
Drug groups [BR:br08330]
Hormonal agent
DG01494 Gonadotropin-releasing hormone receptor agonist
DG00729 Buserelin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 93
1 O6a O 35.0697 -19.8030
2 C6a C 35.0627 -21.1835
3 C1a C 33.8637 -21.8678
4 O6a O 36.2548 -21.8798
5 C1y C 32.7600 -17.1500
6 N1y N 31.3600 -17.1500
7 C1x C 30.9400 -18.4800
8 C1x C 32.0600 -19.3200
9 C1x C 33.1800 -18.4800
10 C8x C 14.7700 -11.4800
11 C8x C 14.0700 -10.2900
12 C8x C 12.6700 -10.2900
13 C8x C 11.9700 -11.4800
14 C8y C 14.0700 -12.6700
15 C8y C 12.6700 -12.6700
16 C8y C 12.2500 -14.0000
17 C8x C 13.3700 -14.7700
18 N4x N 14.4900 -14.0000
19 C1b C 28.9800 -19.0400
20 C5a C 12.2500 -17.2200
21 N1b N 13.4400 -16.5200
22 C1c C 14.6300 -17.2200
23 C5a C 15.8200 -16.5200
24 N1b N 17.0100 -17.2200
25 C1c C 18.2000 -16.5200
26 C5a C 19.3900 -17.2200
27 N1b N 20.5800 -16.5200
28 C1c C 21.7700 -17.2200
29 C5a C 22.9600 -16.5200
30 N1b N 24.2200 -17.2200
31 C1c C 25.4100 -16.5200
32 C5a C 26.6000 -17.2200
33 N1b N 27.7900 -16.5200
34 C1c C 28.9800 -17.2200
35 C5a C 30.1700 -16.5200
36 O5a O 15.8200 -15.1900
37 C1b C 18.2000 -14.8400
38 C8y C 19.3900 -14.1400
39 C8x C 20.5800 -14.7700
40 C8x C 21.7700 -14.1400
41 C8y C 21.7700 -12.7400
42 C8x C 20.5800 -12.0400
43 C8x C 19.3900 -12.7400
44 O1a O 22.9600 -12.0400
45 O5a O 19.3900 -18.6200
46 C1b C 21.7700 -18.6200
47 O5a O 22.9600 -15.1200
48 O5a O 30.1700 -15.1200
49 O5a O 26.6000 -18.5500
50 C1c C 11.0600 -16.5200
51 N1b N 9.8700 -17.2200
52 C5a C 8.6800 -16.5200
53 C1c C 7.4900 -17.2200
54 N1b N 6.3000 -16.5200
55 C5a C 5.1100 -17.2200
56 O5a O 12.2500 -18.6200
57 C1b C 11.0600 -14.7700
58 O5a O 8.6800 -15.1900
59 C1b C 7.4900 -18.6200
60 C8y C 8.6800 -19.3200
61 N4x N 8.6800 -20.7200
62 C8x C 9.9400 -21.1400
63 N5x N 10.7800 -20.0900
64 C8x C 10.0100 -18.9000
65 O5a O 5.1100 -18.6200
66 C1b C 14.6300 -18.6200
67 O1a O 15.8200 -19.3200
68 O2a O 20.5800 -19.2500
69 C1d C 20.5800 -20.6500
70 C1a C 20.5800 -22.0500
71 C1y C 3.9200 -16.5200
72 N1x N 3.9200 -15.1900
73 C5x C 2.5900 -14.7700
74 C1x C 1.7500 -15.8900
75 C1x C 2.5900 -17.0100
76 O5x O 2.1700 -13.4400
77 C1a C 19.2500 -20.6500
78 C1a C 21.9800 -20.6500
79 C1b C 30.1700 -19.7400
80 C1b C 30.1700 -21.1400
81 N1b N 28.9800 -21.7700
82 C2c C 27.7900 -21.0000
83 N1a N 26.6000 -21.6300
84 N2a N 27.7900 -19.6000
85 C5a C 33.9500 -16.4500
86 N1b N 35.1400 -17.1500
87 O5a O 33.9500 -15.0500
88 C1b C 36.3300 -16.4500
89 C1a C 37.5200 -17.1500
90 C1b C 25.4100 -15.1200
91 C1c C 26.6224 -14.4200
92 C1a C 27.8179 -15.1104
93 C1a C 26.6225 -13.0202
BOND 97
1 2 4 1
2 1 2 2
3 2 3 1
4 38 39 2
5 39 40 1
6 40 41 2
7 41 42 1
8 42 43 2
9 43 38 1
10 41 44 1
11 26 45 2
12 28 46 1 #Up
13 20 21 1
14 29 47 2
15 21 22 1
16 22 23 1
17 32 49 2
18 34 19 1 #Down
19 5 6 1
20 35 48 2
21 23 24 1
22 6 7 1
23 20 50 1
24 24 25 1
25 50 51 1
26 7 8 1
27 51 52 1
28 25 26 1
29 52 53 1
30 8 9 1
31 53 54 1
32 26 27 1
33 54 55 1
34 9 5 1
35 20 56 2
36 27 28 1
37 50 57 1 #Up
38 10 11 2
39 52 58 2
40 28 29 1
41 53 59 1 #Down
42 11 12 1
43 59 60 1
44 29 30 1
45 12 13 2
46 30 31 1
47 13 15 1
48 60 61 1
49 61 62 1
50 62 63 2
51 63 64 1
52 64 60 2
53 31 32 1
54 55 65 2
55 14 10 1
56 22 66 1 #Down
57 32 33 1
58 66 67 1
59 57 16 1
60 46 68 1
61 33 34 1
62 68 69 1
63 34 35 1
64 35 6 1
65 69 70 1
66 23 36 2
67 25 37 1 #Up
68 37 38 1
69 71 55 1 #Down
70 14 15 2
71 15 16 1
72 16 17 2
73 17 18 1
74 71 72 1
75 72 73 1
76 73 74 1
77 74 75 1
78 71 75 1
79 18 14 1
80 73 76 2
81 69 77 1
82 69 78 1
83 19 79 1
84 79 80 1
85 80 81 1
86 81 82 1
87 82 83 1
88 82 84 2
89 85 86 1
90 5 85 1 #Down
91 85 87 2
92 86 88 1
93 88 89 1
94 31 90 1 #Up
95 90 91 1
96 91 92 1
97 91 93 1
|
|---|
