| Entry |
|
|---|
| Name |
Reltecimod sodium (USAN) |
|---|
| Formula |
C46H72N10O15S. Na
|
|---|
| Exact mass |
1059.4797
|
|---|
| Mol weight |
1060.1766
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-infective, Immunomodulator |
|---|
| Target |
|
|---|
| Pathway |
| hsa04672 | Intestinal immune network for IgA production |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Other cell surface molecules
CD molecules
CD28
D11348 Reltecimod sodium (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 73
1 N1a N 3.0686 -9.7633
2 C1c C 4.2542 -10.4607
3 C1a C 5.4397 -9.7633
4 C5a C 4.2542 -11.8554
5 N1b N 5.4397 -12.5527
6 O5a O 3.0686 -12.5527
7 C1c C 5.4397 -13.9475
8 C1b C 4.2542 -14.6448
9 C5a C 6.6252 -14.6448
10 O1a O 3.0686 -13.9475
11 O5a O 7.8107 -13.9475
12 N1y N 6.6252 -16.0395
13 C1x C 5.5094 -16.9461
14 C1x C 5.9278 -18.2711
15 C1x C 7.3923 -18.2711
16 C1y C 7.8107 -16.9461
17 C5a C 8.9962 -16.1790
18 N1b N 10.1817 -16.9461
19 O5a O 8.9962 -14.7843
20 C1c C 11.4370 -16.2487
21 C5a C 12.6225 -16.9461
22 N1b N 13.8080 -16.2487
23 O5a O 12.6225 -18.3408
24 C1b C 11.3672 -14.7843
25 C1b C 12.6922 -14.0869
26 S2a S 12.6922 -12.6922
27 C1a C 13.8777 -11.9948
28 C1c C 14.9935 -16.9461
29 C5a C 16.1790 -16.2487
30 N1b N 17.4343 -16.9461
31 O5a O 16.1790 -14.7843
32 C1b C 14.9935 -18.3408
33 C1c C 16.1790 -19.0382
34 C1a C 17.3645 -18.3408
35 C1a C 16.1790 -20.4329
36 C1c C 18.6198 -16.2487
37 C5a C 19.8053 -16.9461
38 C1c C 18.6198 -14.8540
39 C1a C 19.8053 -14.2264
40 C1a C 17.3645 -14.1567
41 N1b N 20.9908 -16.3185
42 O5a O 19.8053 -18.4106
43 C1c C 22.1763 -17.0158
44 C5a C 23.3618 -16.3185
45 C1a C 22.1763 -18.4106
46 N1b N 24.6171 -17.0158
47 O5a O 23.3618 -14.8540
48 C1c C 25.8026 -16.3185
49 C1b C 26.9881 -17.0158
50 C8y C 26.9881 -18.4106
51 C8x C 25.8026 -19.1777
52 C8x C 25.8026 -20.5724
53 C8y C 26.9881 -21.2697
54 C8x C 28.2433 -20.5724
55 C8x C 28.2433 -19.1777
56 O1a O 26.9881 -22.6645
57 C5a C 25.8026 -14.9238
58 N1b N 26.9881 -14.2961
59 O5a O 24.6171 -14.2264
60 C1c C 28.2433 -14.9935
61 C5a C 29.4288 -14.2961
62 C1b C 28.2433 -16.4580
63 C6a C 29.4288 -17.1553
64 O6a O 30.6144 -16.4580
65 O6a O 29.4288 -18.5500
66 N1b N 30.6144 -14.9935
67 O5a O 29.4288 -12.9014
68 C1c C 31.7999 -14.3659
69 C6a C 32.9854 -15.0632
70 O6a O 34.2406 -14.3659
71 O6a O 32.9854 -16.4580
72 C1a C 31.7999 -12.9014
73 Z Na 32.2700 -22.0500
BOND 73
1 1 2 1
2 2 3 1
3 2 4 1 #Down
4 4 5 1
5 4 6 2
6 7 5 1 #Down
7 7 8 1
8 7 9 1
9 8 10 1
10 9 11 2
11 9 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 12 16 1
17 17 18 1
18 16 17 1 #Down
19 17 19 2
20 18 20 1
21 20 21 1
22 21 22 1
23 21 23 2
24 20 24 1 #Up
25 24 25 1
26 25 26 1
27 26 27 1
28 22 28 1
29 28 29 1
30 29 30 1
31 29 31 2
32 28 32 1 #Down
33 32 33 1
34 33 34 1
35 33 35 1
36 30 36 1
37 36 37 1
38 36 38 1 #Up
39 38 39 1
40 38 40 1
41 37 41 1
42 37 42 2
43 41 43 1
44 43 44 1
45 43 45 1 #Down
46 44 46 1
47 44 47 2
48 46 48 1
49 48 49 1
50 49 50 1
51 50 51 2
52 51 52 1
53 52 53 2
54 53 54 1
55 54 55 2
56 50 55 1
57 53 56 1
58 48 57 1 #Down
59 57 58 1
60 57 59 2
61 58 60 1
62 60 61 1
63 60 62 1 #Down
64 62 63 1
65 63 64 1
66 63 65 2
67 61 66 1
68 61 67 2
69 66 68 1
70 68 69 1
71 69 70 1
72 69 71 2
73 68 72 1 #Down
|
|---|
