| Entry |
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| Name |
Eritoran sodium (JAN) |
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| Formula |
C66H126N2O19P2. xNa
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| Structure |
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| Simcomp |
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| Remark |
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| Efficacy |
Anti-inflammatory, Toll-like receptor antagonist |
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| Comment |
See Eritoran tetrasodium [DR: D04043]
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| Target |
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| Pathway |
| hsa04620 | Toll-like receptor signaling pathway |
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| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Pattern recognition receptors
Toll-like receptors
TLR4 (CD284)
D09573 Eritoran sodium (JAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 90
1 C1y C 16.1000 -29.2600
2 C1y C 16.1000 -30.6600
3 C1y C 17.2900 -31.3600
4 C1y C 18.5500 -30.6600
5 C1y C 18.5500 -29.2600
6 O2x O 17.2900 -28.5600
7 C1b C 14.9100 -28.5600
8 O2a O 14.9100 -27.1600
9 C1a C 13.7200 -26.4600
10 O2b O 14.9100 -31.3600
11 P1b P 13.7200 -30.6600
12 O1c O 12.4600 -29.9600
13 O1c O 14.4200 -29.4700
14 O1c O 13.0200 -31.8500
15 O2a O 17.2900 -32.7600
16 C1b C 16.1000 -33.4600
17 C1b C 14.9100 -32.7600
18 C1c C 13.7200 -33.4600
19 C1b C 12.5300 -32.7600
20 C1b C 11.3400 -33.4600
21 O2a O 13.7200 -34.8600
22 C1a C 12.5300 -35.5600
23 C1b C 10.1500 -32.7600
24 C1b C 8.9600 -33.4600
25 C1b C 7.7700 -32.7600
26 C1b C 6.5800 -33.4600
27 C1a C 5.3900 -32.7600
28 N1b N 19.7400 -31.3600
29 C5a C 19.7400 -32.7600
30 O5a O 18.5500 -33.4600
31 C1b C 20.9300 -33.4600
32 C1b C 22.1200 -32.7600
33 C1b C 23.3100 -33.4600
34 C1b C 24.5000 -32.7600
35 C1b C 25.6900 -33.4600
36 C1b C 26.8800 -32.7600
37 C1b C 28.0700 -33.4600
38 C1b C 29.2600 -32.7600
39 C1b C 30.4500 -33.4600
40 C2b C 31.6400 -32.7600
41 C2b C 33.0400 -32.7600
42 C1b C 34.2300 -33.4600
43 C1b C 35.4200 -32.7600
44 C1b C 36.6100 -33.4600
45 C1b C 37.8000 -32.7600
46 C1b C 38.9900 -33.4600
47 C1a C 40.1800 -32.7600
48 O2a O 19.7400 -28.5600
49 C1b C 21.0000 -29.2600
50 C1y C 22.1900 -28.4900
51 C1y C 23.3800 -29.1900
52 C1y C 24.5700 -28.4900
53 C1y C 24.5700 -27.0900
54 C1y C 23.3800 -26.3900
55 O2x O 22.1900 -27.0900
56 O2b O 23.3800 -24.9900
57 P1b P 22.1900 -24.2900
58 O1c O 20.9300 -23.5900
59 O1c O 22.8900 -23.1000
60 O1c O 21.4900 -25.5500
61 N1b N 25.7600 -26.3900
62 C5a C 26.9500 -27.0900
63 C1b C 28.1400 -26.3900
64 C5a C 29.4000 -27.0900
65 C1b C 30.5900 -26.3200
66 O5a O 26.9500 -28.4900
67 O5a O 29.4000 -28.4900
68 C1b C 32.9700 -26.3200
69 C1b C 34.1600 -27.0200
70 C1b C 35.3500 -26.3200
71 C1b C 36.5400 -27.0200
72 C1b C 37.7300 -26.3200
73 C1b C 38.9200 -27.0200
74 C1b C 40.1100 -26.3200
75 C1b C 41.3000 -27.0200
76 C1b C 31.7800 -27.0200
77 C1a C 42.4900 -26.3200
78 O2a O 25.7853 -29.1851
79 C1b C 25.7853 -30.5851
80 C1b C 26.9807 -31.2754
81 C1b C 28.1639 -30.5925
82 C1b C 29.3572 -31.2817
83 C1b C 30.5457 -30.5957
84 C1b C 31.7363 -31.2833
85 C1b C 32.9262 -30.5965
86 C1b C 34.1160 -31.2838
87 C1b C 35.3063 -30.5967
88 C1a C 36.4960 -31.2839
89 O1a O 23.3800 -30.5900
90 Z Na 44.0300 -30.7300
BOND 90
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 7 8 1
9 8 9 1
10 2 10 1 #Down
11 10 11 1
12 11 12 1
13 11 13 2
14 11 14 1
15 3 15 1 #Up
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 18 21 1 #Down
22 21 22 1
23 20 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 4 28 1 #Down
29 28 29 1
30 29 30 2
31 29 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 40 41 2
42 41 42 1
43 42 43 1
44 43 44 1
45 44 45 1
46 45 46 1
47 46 47 1
48 5 48 1 #Up
49 48 49 1
50 50 49 1 #Up
51 50 51 1
52 51 52 1
53 52 53 1
54 53 54 1
55 54 55 1
56 50 55 1
57 54 56 1 #Down
58 56 57 1
59 57 58 1
60 57 59 2
61 57 60 1
62 53 61 1 #Down
63 61 62 1
64 62 63 1
65 63 64 1
66 64 65 1
67 62 66 2
68 64 67 2
69 68 69 1
70 69 70 1
71 70 71 1
72 71 72 1
73 72 73 1
74 73 74 1
75 74 75 1
76 68 76 1
77 76 65 1
78 75 77 1
79 52 78 1 #Up
80 78 79 1
81 79 80 1
82 80 81 1
83 81 82 1
84 82 83 1
85 83 84 1
86 84 85 1
87 85 86 1
88 86 87 1
89 87 88 1
90 51 89 1 #Down
BRACKET 1 43.3300 -31.2200 43.3300 -29.9600
1 45.2900 -29.9600 45.2900 -31.2200
1 x
ORIGINAL 1 90
REPEAT 1
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