| Entry |
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| Name |
Abequolixron zinc (USAN) |
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| Formula |
(C34H32ClF3NO3)2. Zn
|
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| Exact mass |
1252.3337
|
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| Mol weight |
1255.51
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Antineoplastic, LXR agonist |
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| Target |
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| Pathway |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Liver X receptor like receptor
NR1H2 (LXRB)
D12299 Abequolixron zinc (USAN)
NR1H3 (LXRA)
D12299 Abequolixron zinc (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 85
1 C8y C 11.9613 -18.9563
2 C1c C 13.1505 -18.2568
3 C1b C 14.4096 -18.9563
4 N1c N 15.5987 -18.2568
5 C1c C 16.7879 -18.9563
6 C1b C 18.0469 -18.2568
7 C1b C 19.2361 -18.9563
8 O2a O 20.4952 -18.2568
9 C8y C 21.6843 -18.9563
10 C8x C 10.7722 -18.2568
11 C8x C 9.5131 -18.9563
12 C8x C 9.5131 -20.3553
13 C8x C 10.7722 -21.0548
14 C8x C 11.9613 -20.3553
15 C8y C 13.1505 -16.8578
16 C8x C 14.4096 -16.1583
17 C8x C 14.4096 -14.7593
18 C8x C 13.1505 -14.0598
19 C8x C 11.9613 -14.7593
20 C8x C 11.9613 -16.1583
21 C1b C 15.5987 -16.8578
22 C8y C 16.8578 -16.1583
23 C8x C 18.0469 -16.8578
24 C8x C 19.2361 -16.1583
25 C8x C 19.2361 -14.7593
26 C8y C 18.0469 -14.0598
27 C8y C 16.8578 -14.7593
28 X Cl 15.5987 -14.0598
29 C1d C 18.0469 -12.6608
30 X F 18.0469 -11.2619
31 X F 16.6480 -12.6608
32 X F 19.4459 -12.6608
33 C8x C 21.6843 -20.3553
34 C8x C 22.8735 -21.0548
35 C8x C 24.0626 -20.3553
36 C8y C 24.0626 -18.9563
37 C8x C 22.8735 -18.2568
38 C1a C 16.7879 -20.3553
39 C1b C 25.3217 -18.2568
40 C6a C 26.5108 -18.9563
41 O6a O 27.7000 -18.2568 #-
42 O6a O 26.5108 -20.3553
43 Z Zn 30.7300 -18.5500 #2+
44 C8y C 11.9613 -18.9563
45 C1c C 13.1505 -18.2568
46 C1b C 14.4096 -18.9563
47 N1c N 15.5987 -18.2568
48 C1c C 16.7879 -18.9563
49 C1b C 18.0469 -18.2568
50 C1b C 19.2361 -18.9563
51 O2a O 20.4952 -18.2568
52 C8y C 21.6843 -18.9563
53 C8x C 21.6843 -20.3553
54 C8x C 22.8735 -21.0548
55 C8x C 24.0626 -20.3553
56 C8y C 24.0626 -18.9563
57 C8x C 22.8735 -18.2568
58 C1b C 25.3217 -18.2568
59 C6a C 26.5108 -18.9563
60 O6a O 27.7000 -18.2568 #-
61 O6a O 26.5108 -20.3553
62 C1a C 16.7879 -20.3553
63 C1b C 15.5987 -16.8578
64 C8y C 16.8578 -16.1583
65 C8x C 18.0469 -16.8578
66 C8x C 19.2361 -16.1583
67 C8x C 19.2361 -14.7593
68 C8y C 18.0469 -14.0598
69 C8y C 16.8578 -14.7593
70 X Cl 15.5987 -14.0598
71 C1d C 18.0469 -12.6608
72 X F 18.0469 -11.2619
73 X F 16.6480 -12.6608
74 X F 19.4459 -12.6608
75 C8y C 13.1505 -16.8578
76 C8x C 14.4096 -16.1583
77 C8x C 14.4096 -14.7593
78 C8x C 13.1505 -14.0598
79 C8x C 11.9613 -14.7593
80 C8x C 11.9613 -16.1583
81 C8x C 10.7722 -18.2568
82 C8x C 9.5131 -18.9563
83 C8x C 9.5131 -20.3553
84 C8x C 10.7722 -21.0548
85 C8x C 11.9613 -20.3553
BOND 90
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 1 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 1 14 1
15 2 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 4 21 1
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 22 27 1
30 27 28 1
31 26 29 1
32 29 30 1
33 29 31 1
34 29 32 1
35 9 33 2
36 33 34 1
37 34 35 2
38 35 36 1
39 36 37 2
40 9 37 1
41 5 38 1 #Up
42 36 39 1
43 39 40 1
44 40 41 1
45 40 42 2
46 44 45 1
47 45 46 1
48 46 47 1
49 47 48 1
50 48 49 1
51 49 50 1
52 50 51 1
53 51 52 1
54 44 81 2
55 81 82 1
56 82 83 2
57 83 84 1
58 84 85 2
59 44 85 1
60 45 75 1
61 75 76 2
62 76 77 1
63 77 78 2
64 78 79 1
65 79 80 2
66 75 80 1
67 47 63 1
68 63 64 1
69 64 65 2
70 65 66 1
71 66 67 2
72 67 68 1
73 68 69 2
74 64 69 1
75 69 70 1
76 68 71 1
77 71 72 1
78 71 73 1
79 71 74 1
80 52 53 2
81 53 54 1
82 54 55 2
83 55 56 1
84 56 57 2
85 52 57 1
86 48 62 1 #Up
87 56 58 1
88 58 59 1
89 59 60 1
90 59 61 2
BRACKET 1 7.9800 -22.1200 7.9800 -10.0800
1 28.9100 -10.0800 28.9100 -22.1200
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 9 33 34 35 36 37 39 40
1 41 42 38 21 22 23 24 25 26 27 28 29 30 31 32 15
1 16 17 18 19 20 10 11 12 13 14
REPEAT 1 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59
1 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
1 76 77 78 79 80 81 82 83 84 85
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