| Entry |
|
|---|
| Name |
Seglitide acetate (USAN) |
|---|
| Formula |
C44H56N8O7. C2H4O2
|
|---|
| Exact mass |
868.4483
|
|---|
| Mol weight |
869.02
|
|---|
| Structure |
|
|---|
| Efficacy |
Antidiabetic, Somatostatin receptor antagonist |
|---|
| Comment |
somatostatin analog
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Somatostatin
SSTR
D05812 Seglitide acetate (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 63
1 C1y C 20.9714 -17.6822
2 C5x C 20.9714 -19.0860
3 O5x O 22.1872 -19.7880
4 O5x O 23.4030 -19.0860
5 C5x C 23.4030 -17.6822
6 N1y N 22.1872 -16.9803
7 O5x O 24.6187 -19.7880
8 C5x C 25.8344 -19.0860
9 N1x N 25.8344 -17.6822
10 C1y C 24.6187 -16.9803
11 N1x N 19.7557 -19.7880
12 C1y C 19.7557 -21.1918
13 C5x C 20.9714 -21.8937
14 O5x O 22.1872 -21.1918
15 N1x N 20.9714 -23.2975
16 C1y C 22.1872 -23.9995
17 C5x C 23.4030 -23.2975
18 O5x O 23.4030 -21.8937
19 N1x N 24.6187 -23.9995
20 C1y C 25.8344 -23.2975
21 C5x C 25.8344 -21.8937
22 O5x O 24.6187 -21.1918
23 N1x N 27.0502 -21.1918
24 C1y C 27.0502 -19.7880
25 C1c C 28.2867 -19.0738
26 C1a C 29.4962 -19.7719
27 C1a C 28.2864 -17.6823
28 C1b C 27.0353 -23.9909
29 C1b C 28.2269 -23.3031
30 C1b C 29.4209 -23.9925
31 C1b C 30.6138 -23.3039
32 N1a N 31.8071 -23.9929
33 C1b C 22.1872 -25.4031
34 C8y C 20.9546 -26.1149
35 C8y C 19.6826 -25.5486
36 C8y C 18.7510 -26.5833
37 N4x N 19.4472 -27.7891
38 C8x C 20.8091 -27.4996
39 C8x C 19.2488 -24.2135
40 C8x C 17.8757 -23.9216
41 C8x C 16.9440 -24.9564
42 C8x C 17.3778 -26.2915
43 C1b C 18.5569 -21.8841
44 C8y C 17.3663 -21.1967
45 C8x C 17.3662 -19.7882
46 C8x C 16.1504 -19.0863
47 C8y C 14.9346 -19.7884
48 C8x C 14.9348 -21.1969
49 C8x C 16.1507 -21.8987
50 O1a O 13.7188 -19.0866
51 C1a C 19.7557 -16.9803
52 C1a C 22.1872 -15.5766
53 C1b C 24.6187 -15.5764
54 C8y C 25.8365 -14.8733
55 C8x C 27.0363 -15.5662
56 C8x C 28.2521 -14.8644
57 C8x C 28.2522 -13.4606
58 C8x C 27.0524 -12.7678
59 C8x C 25.8366 -13.4695
60 C6a C 37.0300 -21.2800
61 C1a C 38.2424 -21.9800
62 O6a O 35.8176 -21.9800
63 O6a O 37.0300 -19.8800
BOND 66
1 1 2 1
2 2 3 2
3 4 5 2
4 5 6 1
5 1 6 1
6 7 8 2
7 8 9 1
8 9 10 1
9 5 10 1
10 2 11 1
11 11 12 1
12 12 13 1
13 13 14 2
14 13 15 1
15 15 16 1
16 16 17 1
17 17 18 2
18 17 19 1
19 19 20 1
20 20 21 1
21 21 22 2
22 21 23 1
23 23 24 1
24 24 8 1
25 24 25 1 #Down
26 25 26 1
27 25 27 1
28 20 28 1 #Down
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 16 33 1 #Up
34 33 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 34 38 2
40 35 39 2
41 39 40 1
42 40 41 2
43 41 42 1
44 36 42 2
45 12 43 1 #Down
46 43 44 1
47 44 45 2
48 45 46 1
49 46 47 2
50 47 48 1
51 48 49 2
52 44 49 1
53 47 50 1
54 1 51 1 #Down
55 6 52 1
56 10 53 1 #Down
57 53 54 1
58 54 55 2
59 55 56 1
60 56 57 2
61 57 58 1
62 58 59 2
63 54 59 1
64 60 61 1
65 60 62 1
66 60 63 2
|
|---|