Entry |
|
Name |
Bimosiamose disodium (USAN) |
Formula |
C46H52O16. 2Na
|
Exact mass |
906.3051
|
Mol weight |
906.87
|
Structure |

|
Efficacy |
Anti-inflammatory, pan-Selectin antagonist |
Comment |
Treatment of asthma, organ reperfusion injury in transplant or coronary revascularization, treatment of psoriasis
pan-selectin
|
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Cell adhesion molecules: other families
Selectins
SEL
D03114 Bimosiamose disodium (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 64
1 C8x C 27.3183 -12.6854
2 C8x C 27.3183 -14.0869
3 C8y C 28.5095 -14.7876
4 C8x C 29.7709 -14.0869
5 C8y C 29.7709 -12.6854
6 C8x C 28.5095 -11.9846
7 C8y C 28.5095 -16.1891
8 C8y C 27.3183 -16.8898
9 C8x C 27.3183 -18.2913
10 C8x C 28.5095 -18.9920
11 C8y C 29.7709 -18.2913
12 C8x C 29.7709 -16.8898
13 C1b C 30.9621 -11.9846
14 C6a C 32.1534 -12.6854
15 O6a O 33.3446 -11.9846 #-
16 O6a O 32.1534 -14.0869
17 C1b C 30.9621 -18.9920
18 C1b C 32.2234 -18.2913
19 C1b C 33.4147 -18.9920
20 C1b C 34.6060 -18.2913
21 C1b C 35.8673 -18.9920
22 C1b C 37.0586 -18.2913
23 C8y C 38.2498 -18.9920
24 C8x C 38.2498 -20.3935
25 C8y C 39.5111 -21.0943
26 C8y C 40.7024 -20.3935
27 C8x C 40.7024 -18.9920
28 C8x C 39.5111 -18.2913
29 C8y C 39.5111 -22.4957
30 C8x C 38.3199 -23.1965
31 C8y C 38.3199 -24.5980
32 C8x C 39.5111 -25.2987
33 C8x C 40.7024 -24.5980
34 C8x C 40.7024 -23.1965
35 C1b C 37.0586 -25.2987
36 C6a C 35.8673 -24.5980
37 O6a O 34.6060 -25.2987 #-
38 O6a O 35.8673 -23.1965
39 O2a O 26.1270 -16.1891
40 C1y C 24.9358 -16.8898
41 O2x O 23.7445 -16.1891
42 C1y C 22.4832 -16.8898
43 C1y C 22.4832 -18.2913
44 C1y C 23.6744 -18.9920
45 C1y C 24.9358 -18.2913
46 O2a O 41.8937 -21.0943
47 C1y C 43.0849 -20.3935
48 O2x O 44.2762 -21.0943
49 C1y C 45.5375 -20.3935
50 C1y C 45.5375 -18.9920
51 C1y C 44.3462 -18.2913
52 C1y C 43.0849 -18.9920
53 C1b C 21.2919 -16.1891
54 O1a O 23.6744 -20.3935
55 O1a O 26.1270 -18.9920
56 O1a O 21.2919 -18.9920
57 O1a O 20.1007 -16.8898
58 C1b C 46.7288 -21.0943
59 O1a O 47.9200 -20.3935
60 O1a O 46.7288 -18.2913
61 O1a O 44.3462 -16.8898
62 O1a O 41.8937 -18.2913
63 Z Na 35.2366 -11.9846 #+
64 Z Na 31.9432 -25.3688 #+
BOND 67
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 5 13 1
15 13 14 1
16 14 15 1
17 14 16 2
18 11 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 25 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 29 34 1
38 31 35 1
39 35 36 1
40 36 37 1
41 36 38 2
42 8 39 1
43 40 39 1 #Down
44 40 41 1
45 41 42 1
46 42 43 1
47 43 44 1
48 44 45 1
49 40 45 1
50 26 46 1
51 47 46 1 #Down
52 47 48 1
53 48 49 1
54 49 50 1
55 50 51 1
56 51 52 1
57 47 52 1
58 42 53 1 #Up
59 44 54 1 #Up
60 45 55 1 #Up
61 43 56 1 #Down
62 53 57 1
63 49 58 1 #Up
64 58 59 1
65 50 60 1 #Down
66 51 61 1 #Up
67 52 62 1 #Up
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