| Entry |
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| Name |
Zoledronate trisodium (USAN);
Zoledronate trisodium hydrate |
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| Formula |
(C5H7N2O7P2. 3Na)5. 2H2O
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| Exact mass |
1725.7319
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| Mol weight |
1726.2061
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| Structure |
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| Class |
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
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| Remark |
| Product (DG00787): | D01968<JP/US> |
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| Efficacy |
Antiresorptive, Osteoporosis agent, Farnesylpyrophosphate synthetase inhibitor |
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| Comment |
Bisphosphonate
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| Target |
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| Pathway |
| hsa00900 | Terpenoid backbone biosynthesis |
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M05 DRUGS FOR TREATMENT OF BONE DISEASES
M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
M05BA Bisphosphonates
M05BA08 Zoledronic acid
D06379 Zoledronate trisodium (USAN)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
DG00787 Zoledronic acid
D06379 Zoledronate trisodium
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Alkyl/Aryl transferases
FDPS
D06379 Zoledronate trisodium (USAN)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
DG00787 Zoledronic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 97
1 O0 O 27.2333 -35.4575
2 Z Na 21.1402 -36.8202 #+
3 Z Na 14.1002 -38.8057 #+
4 Z Na 17.9902 -38.9202 #+
5 C1d C 17.4300 -35.4200
6 P1b P 18.6424 -36.1200
7 P1b P 16.2176 -36.1200
8 O1c O 15.0221 -35.4296
9 O1c O 16.2175 -37.5198
10 O1c O 14.8120 -37.2303 #-
11 O1c O 19.8379 -35.4296
12 O1c O 18.6425 -37.6598 #-
13 O1c O 19.8380 -36.8103 #-
14 C1b C 17.4300 -34.0200
15 O1a O 17.4300 -36.8200
16 N4y N 18.6424 -33.3200
17 C8x C 19.9623 -33.7178
18 N5x N 20.7512 -32.5861
19 C8x C 19.9187 -31.4862
20 C8x C 18.6153 -31.9380
21 O0 O 27.2333 -35.4575
22 Z Na 21.1402 -36.8202 #+
23 Z Na 14.1002 -38.8057 #+
24 Z Na 17.9902 -38.9202 #+
25 C1d C 17.4300 -35.4200
26 P1b P 18.6424 -36.1200
27 O1c O 19.8379 -35.4296
28 O1c O 18.6425 -37.6598 #-
29 O1c O 19.8380 -36.8103 #-
30 P1b P 16.2176 -36.1200
31 O1c O 15.0221 -35.4296
32 O1c O 16.2175 -37.5198
33 O1c O 14.8120 -37.2303 #-
34 C1b C 17.4300 -34.0200
35 N4y N 18.6424 -33.3200
36 C8x C 19.9623 -33.7178
37 N5x N 20.7512 -32.5861
38 C8x C 19.9187 -31.4862
39 C8x C 18.6153 -31.9380
40 O1a O 17.4300 -36.8200
41 Z Na 21.1402 -36.8202 #+
42 Z Na 14.1002 -38.8057 #+
43 Z Na 17.9902 -38.9202 #+
44 C1d C 17.4300 -35.4200
45 P1b P 18.6424 -36.1200
46 O1c O 19.8379 -35.4296
47 O1c O 18.6425 -37.6598 #-
48 O1c O 19.8380 -36.8103 #-
49 P1b P 16.2176 -36.1200
50 O1c O 15.0221 -35.4296
51 O1c O 16.2175 -37.5198
52 O1c O 14.8120 -37.2303 #-
53 C1b C 17.4300 -34.0200
54 N4y N 18.6424 -33.3200
55 C8x C 19.9623 -33.7178
56 N5x N 20.7512 -32.5861
57 C8x C 19.9187 -31.4862
58 C8x C 18.6153 -31.9380
59 O1a O 17.4300 -36.8200
60 Z Na 21.1402 -36.8202 #+
61 Z Na 14.1002 -38.8057 #+
62 Z Na 17.9902 -38.9202 #+
63 C1d C 17.4300 -35.4200
64 P1b P 18.6424 -36.1200
65 O1c O 19.8379 -35.4296
66 O1c O 18.6425 -37.6598 #-
67 O1c O 19.8380 -36.8103 #-
68 P1b P 16.2176 -36.1200
69 O1c O 15.0221 -35.4296
70 O1c O 16.2175 -37.5198
71 O1c O 14.8120 -37.2303 #-
72 C1b C 17.4300 -34.0200
73 N4y N 18.6424 -33.3200
74 C8x C 19.9623 -33.7178
75 N5x N 20.7512 -32.5861
76 C8x C 19.9187 -31.4862
77 C8x C 18.6153 -31.9380
78 O1a O 17.4300 -36.8200
79 Z Na 21.1402 -36.8202 #+
80 Z Na 14.1002 -38.8057 #+
81 Z Na 17.9902 -38.9202 #+
82 C1d C 17.4300 -35.4200
83 P1b P 18.6424 -36.1200
84 O1c O 19.8379 -35.4296
85 O1c O 18.6425 -37.6598 #-
86 O1c O 19.8380 -36.8103 #-
87 P1b P 16.2176 -36.1200
88 O1c O 15.0221 -35.4296
89 O1c O 16.2175 -37.5198
90 O1c O 14.8120 -37.2303 #-
91 C1b C 17.4300 -34.0200
92 N4y N 18.6424 -33.3200
93 C8x C 19.9623 -33.7178
94 N5x N 20.7512 -32.5861
95 C8x C 19.9187 -31.4862
96 C8x C 18.6153 -31.9380
97 O1a O 17.4300 -36.8200
BOND 80
1 5 6 1
2 5 7 1
3 7 8 2
4 7 9 1
5 7 10 1
6 6 11 2
7 6 12 1
8 6 13 1
9 5 14 1
10 5 15 1
11 14 16 1
12 16 17 1
13 17 18 2
14 18 19 1
15 19 20 2
16 16 20 1
17 25 26 1
18 25 30 1
19 30 31 2
20 30 32 1
21 30 33 1
22 26 27 2
23 26 28 1
24 26 29 1
25 25 34 1
26 25 40 1
27 34 35 1
28 35 36 1
29 36 37 2
30 37 38 1
31 38 39 2
32 35 39 1
33 44 45 1
34 44 49 1
35 49 50 2
36 49 51 1
37 49 52 1
38 45 46 2
39 45 47 1
40 45 48 1
41 44 53 1
42 44 59 1
43 53 54 1
44 54 55 1
45 55 56 2
46 56 57 1
47 57 58 2
48 54 58 1
49 63 64 1
50 63 68 1
51 68 69 2
52 68 70 1
53 68 71 1
54 64 65 2
55 64 66 1
56 64 67 1
57 63 72 1
58 63 78 1
59 72 73 1
60 73 74 1
61 74 75 2
62 75 76 1
63 76 77 2
64 73 77 1
65 82 83 1
66 82 87 1
67 87 88 2
68 87 89 1
69 87 90 1
70 83 84 2
71 83 85 1
72 83 86 1
73 82 91 1
74 82 97 1
75 91 92 1
76 92 93 1
77 93 94 2
78 94 95 1
79 95 96 2
80 92 96 1
BRACKET 1 24.7800 -36.4000 24.7800 -34.5800
1 27.9300 -34.5800 27.9300 -36.4000
1 2
ORIGINAL 1 1
REPEAT 1 21
2 12.5300 -40.2500 12.5300 -30.5200
2 23.0300 -30.5200 23.0300 -40.2500
2 5
ORIGINAL 2 2 3 4 5 6 11 12 13 7 8 9 10 14 16 17 18
2 19 20 15
REPEAT 2 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37
2 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53
2 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69
2 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85
2 86 87 88 89 90 91 92 93 94 95 96 97
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