| Entry |
|
|---|
| Name |
Vapreotide (USAN/INN) |
|---|
| Formula |
C57H70N12O9S2
|
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| Exact mass |
1130.4830
|
|---|
| Mol weight |
1131.37
|
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| Structure |
|
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| Simcomp |
|
|---|
| Sequence |
FCYWKVCW (Disulfide bridge: 2-7) |
|---|
| Type |
Peptide |
|---|
| Class |
Hormonal agent
DG01588 Somatostatin receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Hemostatic (gastrointestinal tract), Somatostatin receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
H01C HYPOTHALAMIC HORMONES
H01CB Somatostatin and analogues
H01CB04 Vapreotide
D06281 Vapreotide (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00502 Vapreotide
D06281 Vapreotide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Somatostatin
SSTR2
D06281 Vapreotide (USAN/INN)
SSTR5
D06281 Vapreotide (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
DG00502 Vapreotide
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 80
1 C8y C 20.8600 -24.3600
2 C8x C 20.1600 -25.5500
3 C8x C 20.8600 -26.7400
4 C8x C 22.2600 -26.7400
5 C8x C 22.9600 -25.5500
6 C8y C 22.2600 -24.3600
7 N4x N 22.7500 -23.0300
8 C8x C 21.6300 -22.1900
9 C8y C 20.4400 -23.0300
10 N1b N 13.2300 -16.0300
11 C1y C 14.4200 -16.7300
12 C5x C 14.4200 -18.1300
13 O5x O 13.2300 -18.8300
14 C5x C 22.8900 -18.8300
15 C1y C 22.8900 -20.2300
16 O5x O 21.7000 -18.1300
17 N1x N 21.7000 -20.9300
18 C5x C 20.5100 -20.2300
19 C1y C 19.2500 -20.9300
20 O5x O 20.5100 -18.8300
21 N1x N 18.0600 -20.2300
22 C5x C 16.8700 -20.9300
23 C1y C 15.6100 -20.2300
24 C1b C 14.4200 -20.9300
25 N1x N 15.6100 -18.8300
26 O5x O 16.8700 -22.3300
27 C8y C 14.4200 -22.3300
28 C5a C 12.0400 -16.7300
29 C1c C 10.8500 -16.0300
30 O5a O 12.0400 -18.1300
31 N1a N 10.8500 -14.6300
32 C1b C 9.6600 -16.7300
33 C8x C 13.2300 -23.0300
34 C8x C 13.2300 -24.3600
35 C8y C 14.4200 -25.0600
36 C8x C 15.6100 -24.3600
37 C8x C 15.6100 -23.0300
38 C1b C 19.2500 -22.3300
39 C1b C 24.0800 -20.9300
40 N1x N 24.0800 -18.1300
41 C1b C 25.3400 -20.2300
42 C1b C 26.5300 -20.9300
43 C1b C 27.7200 -20.2300
44 N1a N 28.9100 -20.9300
45 C1y C 24.0800 -16.7300
46 C5x C 22.8900 -16.0300
47 C1c C 25.2700 -16.0300
48 C1a C 26.5300 -16.7300
49 C1a C 25.2700 -14.6300
50 N1x N 21.7000 -16.7300
51 O5x O 22.8900 -14.7000
52 C1y C 20.5100 -16.1000
53 C1x C 19.2500 -16.8000
54 S3x S 18.0600 -16.1000
55 C1x C 15.6800 -16.0300
56 S3x S 16.8700 -16.7300
57 C5a C 20.5100 -14.7000
58 O5a O 21.6300 -14.0000
59 N1b N 19.2500 -14.0000
60 C1c C 19.2500 -12.6000
61 C5a C 18.0600 -11.9000
62 C1b C 20.4400 -11.9000
63 O5a O 18.0600 -10.5700
64 N1a N 16.8700 -12.6000
65 C8y C 9.6600 -18.1300
66 C8x C 8.4700 -18.8300
67 C8x C 8.4700 -20.2300
68 C8x C 9.6600 -20.8600
69 C8x C 10.8500 -20.2300
70 C8x C 10.8500 -18.8300
71 O1a O 14.4200 -26.4600
72 C8y C 20.4400 -10.5000
73 C8y C 21.7700 -10.0800
74 C8x C 22.9600 -10.7800
75 C8x C 24.1500 -10.0100
76 C8x C 24.1500 -8.6100
77 C8x C 22.9600 -7.9800
78 C8y C 21.7700 -8.6800
79 N4x N 20.4400 -8.1900
80 C8x C 19.6000 -9.4500
BOND 86
1 9 1 1
2 47 48 1
3 1 2 1
4 47 49 1
5 2 3 2
6 46 50 1
7 10 28 1
8 46 51 2
9 3 4 1
10 50 52 1
11 28 29 1
12 52 53 1
13 4 5 2
14 53 54 1
15 28 30 2
16 11 55 1
17 5 6 1
18 55 56 1
19 54 56 1
20 29 31 1
21 52 57 1
22 29 32 1
23 57 58 2
24 11 12 1
25 57 59 1
26 27 33 2
27 59 60 1
28 33 34 1
29 60 61 1
30 34 35 2
31 60 62 1
32 35 36 1
33 36 37 2
34 61 63 2
35 37 27 1
36 61 64 1
37 14 15 1
38 19 38 1
39 38 9 1
40 12 13 2
41 15 39 1
42 14 16 2
43 12 25 1
44 15 17 1
45 17 18 1
46 18 19 1
47 18 20 2
48 19 21 1
49 10 11 1
50 21 22 1
51 22 23 1
52 23 24 1
53 14 40 1
54 32 65 1
55 23 25 1
56 39 41 1
57 22 26 2
58 41 42 1
59 24 27 1
60 65 66 2
61 66 67 1
62 67 68 2
63 68 69 1
64 69 70 2
65 70 65 1
66 42 43 1
67 6 1 2
68 43 44 1
69 6 7 1
70 40 45 1
71 7 8 1
72 45 46 1
73 8 9 2
74 45 47 1
75 35 71 1
76 62 72 1
77 72 73 1
78 73 74 1
79 74 75 2
80 75 76 1
81 76 77 2
82 77 78 1
83 78 73 2
84 78 79 1
85 79 80 1
86 72 80 2
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