| Entry |
|
|---|
| Name |
Veldoreotide (USAN/INN) |
|---|
| Formula |
C60H74N12O10
|
|---|
| Exact mass |
1122.5651
|
|---|
| Mol weight |
1123.30
|
|---|
| Structure |
|
|---|
| Efficacy |
Antisecretory, Somatostatin receptor agonist |
|---|
| Comment |
Treatment of acromegaly
Somatostatin analogue
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Somatostatin
SSTR
D11192 Veldoreotide (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 82
1 C5a C 37.3770 -21.2022
2 N1b N 37.3770 -19.7966
3 C1c C 36.1120 -19.0939
4 C5a C 37.3770 -24.0132
5 N1b N 38.5717 -23.3104
6 C1c C 38.5717 -21.9049
7 N1b N 36.1120 -26.1215
8 C1c C 37.3770 -25.4187
9 C5a C 34.7065 -26.1215
10 N1b N 32.3171 -26.1215
11 C1c C 33.5118 -26.8242
12 C5a C 31.1224 -26.8242
13 C1b C 29.9277 -26.1215
14 C1b C 28.7330 -26.8242
15 C1b C 27.3275 -26.8242
16 N1c N 26.1328 -20.4994
17 C1b C 26.1328 -21.9049
18 C5a C 27.3275 -19.7966
19 C1b C 24.9381 -22.6077
20 C1b C 24.9381 -24.0132
21 C5a C 26.1328 -24.7160
22 N1b N 26.1328 -26.1215
23 C1c C 28.7330 -19.7966
24 N1b N 29.9277 -19.0939
25 C5a C 31.1224 -19.7966
26 C1c C 32.3171 -19.0939
27 N1b N 33.5118 -19.7966
28 C5a C 34.7065 -19.0939
29 C1b C 33.5118 -28.2298
30 O5a O 34.3551 -24.7862
31 C1b C 38.5717 -26.1215
32 C8y C 38.5717 -27.5270
33 C8y C 37.4473 -28.3703
34 C8y C 37.8689 -29.7056
35 N4x N 39.2745 -29.7056
36 C8x C 39.7664 -28.3703
37 C8x C 36.0418 -28.0892
38 C8x C 35.1282 -29.1434
39 C8x C 35.5498 -30.4786
40 C8x C 36.9554 -30.7597
41 O5a O 36.1823 -23.3104
42 C1b C 39.7664 -21.2022
43 C8y C 40.9611 -21.9049
44 C8y C 41.3828 -23.2402
45 C8y C 42.7883 -23.2402
46 N4x N 43.2802 -21.9049
47 C8x C 42.1558 -21.0616
48 C8x C 40.6800 -24.4349
49 C8x C 41.3828 -25.6998
50 C8x C 42.7883 -25.6998
51 C8x C 43.4910 -24.5051
52 O5a O 36.1823 -21.9049
53 C1b C 36.4634 -17.7586
54 O5a O 34.3551 -17.7586
55 C1c C 32.3171 -17.6883
56 C1a C 33.5118 -16.9856
57 O1a O 31.1224 -16.9856
58 O5a O 31.1224 -21.2022
59 O5a O 26.9761 -18.4614
60 C1b C 24.9381 -19.7966
61 C5a C 23.7434 -20.4994
62 N1a N 22.5487 -19.7966
63 O5a O 23.7434 -21.9049
64 O5a O 27.3275 -24.0132
65 C8y C 32.8091 -29.4947
66 O5a O 31.1224 -28.2298
67 C8x C 31.4738 -29.4947
68 C8x C 30.7710 -30.7597
69 C8x C 31.5441 -31.9544
70 C8x C 32.8793 -31.9544
71 C8x C 33.5821 -30.6894
72 C1b C 28.3817 -18.4614
73 C8y C 28.3817 -17.0559
74 C8x C 29.5763 -16.3531
75 C8x C 29.5763 -14.9476
76 C8x C 28.3817 -14.2448
77 C8x C 27.1870 -14.9476
78 C8x C 27.1870 -16.3531
79 C1b C 37.6581 -17.0559
80 C1b C 38.8528 -17.7586
81 C1b C 40.0475 -17.0559
82 N1a N 41.2422 -17.7586
BOND 88
1 1 2 1
2 2 3 1
3 4 5 1
4 5 6 1
5 1 6 1
6 7 8 1
7 4 8 1
8 7 9 1
9 10 11 1
10 11 9 1
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 16 17 1
16 16 18 1
17 17 19 1
18 19 20 1
19 20 21 1
20 21 22 1
21 22 15 1
22 18 23 1
23 24 25 1
24 24 23 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 3 1
29 11 29 1 #Down
30 9 30 2
31 8 31 1 #Down
32 31 32 1
33 32 33 1
34 33 34 1
35 34 35 1
36 35 36 1
37 32 36 2
38 33 37 2
39 37 38 1
40 38 39 2
41 39 40 1
42 34 40 2
43 4 41 2
44 6 42 1 #Up
45 42 43 1
46 43 44 1
47 44 45 1
48 45 46 1
49 46 47 1
50 43 47 2
51 44 48 2
52 48 49 1
53 49 50 2
54 50 51 1
55 45 51 2
56 1 52 2
57 3 53 1 #Down
58 28 54 2
59 26 55 1
60 55 56 1
61 55 57 1 #Down
62 25 58 2
63 18 59 2
64 16 60 1
65 60 61 1
66 61 62 1
67 61 63 2
68 21 64 2
69 29 65 1
70 12 66 2
71 65 67 2
72 67 68 1
73 68 69 2
74 69 70 1
75 70 71 2
76 65 71 1
77 23 72 1 #Down
78 72 73 1
79 73 74 2
80 74 75 1
81 75 76 2
82 76 77 1
83 77 78 2
84 73 78 1
85 79 80 1
86 79 53 1
87 80 81 1
88 81 82 1
|
|---|
