Entry |
|
Name |
Sovatelitide (USAN) |
Formula |
C86H117N17O27
|
Exact mass |
1819.8305
|
Mol weight |
1820.95
|
Structure |

|
Efficacy |
Neuroprotectant, Endothelin B receptor agonist |
Comment |
Treatment of ischemic stroke
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Endothelin
EDNRB
D11964 Sovatelitide (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 130
1 C8y C 7.6300 -14.4900
2 C1b C 8.8424 -15.1900
3 C1c C 10.0379 -14.4996
4 N1b N 11.2253 -15.1851
5 C6a C 10.0380 -13.0903
6 O6a O 11.2294 -12.4022
7 O6a O 8.8046 -12.3779
8 C5a C 12.4165 -14.4971
9 C1c C 13.6060 -15.1838
10 O5a O 12.4165 -13.0903
11 N1b N 14.7961 -14.4965
12 C5a C 15.9862 -15.1835
13 C1c C 17.1760 -14.4963
14 O5a O 15.9864 -16.5898
15 C1c C 13.6062 -16.5898
16 C1a C 14.7991 -17.2784
17 C1b C 12.3742 -17.3014
18 C1a C 11.1687 -16.6057
19 N1b N 18.3662 -15.1834
20 C1c C 17.1760 -13.0902
21 C1a C 15.9441 -12.3788
22 C1b C 18.3689 -12.4014
23 C5a C 19.5560 -14.4962
24 C1a C 18.3691 -10.9903
25 C1c C 20.7462 -15.1834
26 O5a O 19.5560 -13.0902
27 N1b N 21.9360 -14.4962
28 C1b C 20.7465 -16.5897
29 C6a C 19.5143 -17.3015
30 O6a O 18.3086 -16.6057
31 O6a O 19.5147 -18.6899
32 C5a C 23.1262 -15.1834
33 C1c C 24.3160 -14.4962
34 O5a O 23.1265 -16.5897
35 N1b N 25.5062 -15.1834
36 C1b C 24.3160 -13.0902
37 C1c C 23.0841 -12.3788
38 C1a C 21.8788 -13.0746
39 C1a C 23.0844 -10.9901
40 C5a C 26.6960 -14.4962
41 C1c C 27.8862 -15.1834
42 O5a O 26.6960 -13.0902
43 N1b N 29.0760 -14.4962
44 C1b C 27.8865 -16.5897
45 C5a C 30.2662 -15.1834
46 C8y C 26.6543 -17.3015
47 N4x N 25.3263 -16.8971
48 C8x C 24.5290 -18.0360
49 N5x N 25.3658 -19.1462
50 C8x C 26.6803 -18.6934
51 C1c C 31.4560 -14.4962
52 O5a O 30.2665 -16.5897
53 N1b N 32.6462 -15.1834
54 C5a C 33.8360 -14.4963
55 C1c C 35.0262 -15.1834
56 O5a O 33.8360 -13.0902
57 C1a C 31.4560 -13.0902
58 N1b N 36.2160 -14.4963
59 C5a C 37.4062 -15.1834
60 C1b C 35.0265 -16.5897
61 C1c C 38.5960 -14.4963
62 O5a O 37.4065 -16.5898
63 C8y C 33.7943 -17.3015
64 C8x C 32.5886 -16.6057
65 C8x C 31.3763 -17.3059
66 C8x C 31.3765 -18.7059
67 C8x C 32.5822 -19.4017
68 C8x C 33.7945 -18.7015
69 N1b N 39.7862 -15.1834
70 C1b C 38.5960 -13.0902
71 C5a C 40.9760 -14.4963
72 C8y C 37.3641 -12.3788
73 C8x C 37.3643 -10.9901
74 C8x C 36.1520 -10.2899
75 C8y C 34.9394 -10.9897
76 C8x C 34.9392 -12.3784
77 C8x C 36.1515 -13.0786
78 C1c C 42.1662 -15.1834
79 O5a O 40.9760 -13.0902
80 N1b N 43.3560 -14.4963
81 C1c C 42.1664 -16.5898
82 C1a C 43.3591 -17.2783
83 C1a C 40.9343 -17.3015
84 C5a C 44.5462 -15.1834
85 C1c C 45.7360 -14.4963
86 O5a O 44.5464 -16.5898
87 C1a C 46.9262 -15.1834
88 N1b N 45.7360 -13.0902
89 C5a C 46.9289 -12.4013
90 C1c C 48.1148 -13.0859
91 O5a O 46.9290 -10.9903
92 C1b C 49.3067 -12.3975
93 N1b N 48.1150 -14.4898
94 C5a C 49.3088 -15.1789
95 C1c C 50.4948 -14.4940
96 O5a O 49.3091 -16.5897
97 N1b N 51.6869 -15.1823
98 C1b C 49.3067 -10.9903
99 C6a C 50.4991 -10.3016
100 O6a O 51.6847 -10.9861
101 O6a O 50.4992 -8.8903
102 C1b C 50.4947 -13.0902
103 C1b C 51.6900 -12.4033
104 C6a C 52.8728 -13.0894
105 O6a O 54.0692 -12.4018
106 O6a O 52.8699 -14.4899
107 C5a C 51.6869 -16.5823
108 O5a O 50.4510 -17.2960
109 C1c C 52.8823 -17.2727
110 C1b C 54.0631 -16.5912
111 N1b N 52.8825 -18.6896
112 C6a C 55.2575 -17.2811
113 O6a O 56.4456 -16.5955
114 O6a O 55.2574 -18.6897
115 C5a C 51.6458 -19.4040
116 O5a O 50.4379 -18.7070
117 C1b C 51.6462 -20.7899
118 C1b C 52.8692 -21.4956
119 C6a C 54.0693 -20.8021
120 O6a O 55.2548 -21.4860
121 O6a O 54.0691 -19.3903
122 O1a O 33.7202 -10.2854
123 C8x C 7.6559 -13.0902
124 N4x N 6.3326 -12.6331
125 C8y C 5.4889 -13.7503
126 C8y C 6.2907 -14.8980
127 C8x C 4.0941 -13.8709
128 C8x C 3.5012 -15.1392
129 C8x C 4.3030 -16.2868
130 C8x C 5.6978 -16.1662
BOND 134
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1 #Up
5 5 6 2
6 5 7 1
7 4 8 1
8 8 9 1
9 8 10 2
10 9 11 1
11 11 12 1
12 12 13 1
13 12 14 2
14 9 15 1
15 15 16 1 #Up
16 15 17 1
17 17 18 1
18 13 19 1
19 13 20 1
20 20 21 1 #Up
21 20 22 1
22 19 23 1
23 22 24 1
24 23 25 1
25 23 26 2
26 25 27 1
27 25 28 1 #Up
28 28 29 1
29 29 30 1
30 29 31 2
31 27 32 1
32 32 33 1
33 32 34 2
34 33 35 1
35 33 36 1 #Down
36 36 37 1
37 37 38 1
38 37 39 1
39 35 40 1
40 40 41 1
41 40 42 2
42 41 43 1
43 41 44 1 #Up
44 43 45 1
45 44 46 1
46 46 47 1
47 47 48 1
48 48 49 2
49 49 50 1
50 46 50 2
51 45 51 1
52 45 52 2
53 51 53 1
54 53 54 1
55 54 55 1
56 54 56 2
57 51 57 1 #Down
58 55 58 1
59 58 59 1
60 55 60 1 #Up
61 59 61 1
62 59 62 2
63 60 63 1
64 63 64 2
65 64 65 1
66 65 66 2
67 66 67 1
68 67 68 2
69 63 68 1
70 61 69 1 #Down
71 61 70 1
72 69 71 1
73 70 72 1
74 72 73 2
75 73 74 1
76 74 75 2
77 75 76 1
78 76 77 2
79 72 77 1
80 71 78 1
81 71 79 2
82 78 80 1 #Up
83 78 81 1
84 81 82 1
85 81 83 1
86 80 84 1
87 84 85 1
88 84 86 2
89 85 87 1
90 85 88 1 #Up
91 88 89 1
92 89 90 1
93 89 91 2
94 90 92 1
95 90 93 1 #Down
96 93 94 1
97 94 95 1
98 94 96 2
99 95 97 1 #Down
100 92 98 1
101 98 99 1
102 99 100 1
103 99 101 2
104 95 102 1
105 102 103 1
106 103 104 1
107 104 105 1
108 104 106 2
109 97 107 1
110 107 108 2
111 107 109 1
112 109 110 1
113 109 111 1 #Down
114 110 112 1
115 112 113 1
116 112 114 2
117 111 115 1
118 115 116 2
119 115 117 1
120 117 118 1
121 118 119 1
122 119 120 1
123 119 121 2
124 75 122 1
125 1 123 2
126 123 124 1
127 124 125 1
128 125 126 1
129 1 126 1
130 125 127 2
131 127 128 1
132 128 129 2
133 129 130 1
134 126 130 2
|