| Entry |
|
|---|
| Name |
Giractide acetate (JAN) |
|---|
| Formula |
C100H156N34O22S. (C2H4O2)6
|
|---|
| Exact mass |
2577.3122
|
|---|
| Mol weight |
2578.90
|
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| Structure |
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|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01629 Adrenocorticotropic hormone (ACTH)
|
|---|
| Remark |
|
|---|
| Efficacy |
Melanocortin 2 receptor agonist |
|---|
| Comment |
See Giractide [DR: D09937]
synthetic adrenocorticotropic hormone (ACTH)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04925 | Aldosterone synthesis and secretion |
| hsa04927 | Cortisol synthesis and secretion |
|
|---|
| Interaction |
|
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| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01629 Adrenocorticotropic hormone (ACTH)
DG01344 Giractide
D09801 Giractide acetate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Melanocortin
MC2R
D09801 Giractide acetate (JAN)
Drug groups [BR:br08330]
Hormonal agent
DG01629 Adrenocorticotropic hormone (ACTH)
DG01344 Giractide
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 181
1 C8y C 28.8723 -33.7403
2 C1b C 30.0696 -34.4447
3 C1c C 31.2670 -33.7403
4 N1b N 32.4645 -34.4447
5 C5a C 31.2670 -31.2046
6 O5a O 30.0696 -30.5001
7 N1b N 32.4645 -30.5001
8 C1b C 33.7324 -31.2046
9 C5a C 34.9298 -30.4298
10 N1b N 36.1272 -31.1341
11 O5a O 34.9298 -29.0210
12 C1c C 37.3246 -30.4298
13 C5a C 38.5221 -31.1341
14 C1b C 37.3246 -29.0210
15 C1b C 38.5221 -28.3166
16 N1y N 39.7195 -30.4298
17 C5a C 32.4645 -35.8534
18 O5a O 31.2670 -36.5578
19 C1c C 33.6619 -36.5578
20 C1b C 33.6619 -37.9666
21 O5a O 38.5221 -32.5428
22 C1x C 41.5508 -29.0914
23 C1x C 40.1421 -29.0914
24 C1y C 40.8465 -31.2750
25 C1x C 41.9736 -30.4298
26 C5a C 40.8465 -32.9655
27 O5a O 39.6491 -33.6699
28 N1b N 42.0439 -33.6699
29 C1c C 43.2414 -32.9655
30 C1c C 43.2414 -31.9793
31 C1b C 38.5221 -26.9079
32 C1b C 39.7195 -26.2035
33 N1a N 39.7195 -24.7948
34 N1b N 34.8594 -35.8534
35 C5a C 36.0568 -36.5578
36 C1c C 37.2543 -35.8534
37 N1b N 38.4516 -36.5578
38 O5a O 36.0568 -37.9666
39 C1b C 37.2543 -34.4447
40 C8y C 35.9863 -33.8107
41 C8x C 33.5211 -32.4019
42 C8x C 33.5211 -33.8107
43 C8x C 34.7185 -34.5151
44 C8x C 35.9863 -32.4019
45 C8x C 34.7185 -31.6976
46 C5a C 39.6491 -35.8534
47 C1c C 40.8465 -36.5578
48 O5a O 39.6491 -34.5856
49 C1b C 42.0439 -35.8534
50 C8y C 43.2414 -36.5578
51 N1b N 40.8465 -38.4596
52 C8x C 43.6640 -37.8961
53 N5x N 45.0728 -37.8961
54 C8x C 45.4954 -36.6303
55 N4x N 44.3683 -35.7125
56 C1b C 32.4645 -38.6709
57 C1b C 31.2670 -37.9666
58 N1b N 30.0696 -38.6709
59 C2c C 28.8723 -37.9666
60 N1a N 27.6748 -38.6709
61 N2a N 28.8723 -36.5578
62 C5a C 42.0439 -39.1639
63 C1c C 42.0439 -40.5727
64 O5a O 43.2414 -38.4596
65 N1b N 43.2414 -41.2771
66 C5a C 44.4388 -40.5727
67 C1c C 45.6363 -41.2771
68 C1b C 40.8465 -41.2771
69 C1b C 39.6491 -40.5727
70 C6a C 38.4516 -41.2771
71 O5a O 44.4388 -39.1639
72 N1b N 46.8337 -40.5727
73 C1b C 45.6363 -42.6859
74 C5a C 48.0311 -41.2771
75 C1c C 49.2285 -40.5727
76 O5a O 48.0311 -42.4040
77 O6a O 37.2543 -40.5727
78 O6a O 38.4516 -42.6859
79 C1b C 44.4388 -43.3902
80 S2a S 43.2414 -42.6859
81 C1a C 42.0439 -43.3902
82 N1b N 50.4260 -41.2771
83 C1b C 49.2285 -39.1639
84 O1a O 50.4260 -38.4596
85 C5a C 51.6234 -40.5727
86 C1c C 52.8208 -41.2771
87 O5a O 51.6234 -39.1639
88 C1b C 54.0183 -40.5727
89 N1b N 52.8208 -42.6859
90 C5a C 51.6234 -43.3902
91 C1b C 50.4260 -42.6859
92 N1a N 49.2285 -43.3902
93 O5a O 51.6234 -44.7989
94 C8y C 55.2861 -41.2771
95 C8x C 55.2861 -42.6859
96 C8x C 56.4836 -43.3902
97 C8y C 57.6810 -42.6859
98 C8x C 57.6810 -41.2771
99 C8x C 56.4836 -40.5727
100 O1a O 58.9488 -43.3902
101 O5a O 44.4388 -34.7968
102 C5a C 44.4388 -33.6699
103 N1b N 45.6363 -33.0359
104 C1b C 45.6363 -31.4863
105 C5a C 46.8337 -30.8524
106 N1b N 46.8337 -29.4436
107 O5a O 48.1016 -31.5567
108 C1c C 48.1016 -28.7392
109 C1b C 48.1016 -27.4009
110 C5a C 49.2990 -29.5141
111 N1b N 50.4964 -28.8097
112 O5a O 49.2990 -30.9228
113 C1c C 51.6939 -29.5141
114 C1b C 49.2990 -26.6966
115 C1b C 52.8912 -28.8097
116 C5a C 51.6939 -30.9932
117 N1b N 50.4964 -31.6272
118 O5a O 52.8912 -31.6976
119 C1c C 50.4964 -33.0359
120 C1b C 49.3693 -33.5291
121 C5a C 51.6939 -33.7403
122 O5a O 52.9617 -33.0359
123 N1b N 51.6939 -35.1491
124 C1c C 52.8912 -35.8534
125 C5a C 54.1592 -35.1491
126 N1a N 54.1592 -33.7403
127 O5a O 55.3566 -35.8534
128 C1b C 50.4964 -27.4009
129 C1b C 51.6939 -26.7670
130 C1b C 54.1592 -29.5845
131 C1b C 55.4270 -28.8097
132 C1b C 56.6244 -29.5845
133 N1a N 57.8219 -28.8801
134 C1b C 49.3693 -34.7970
135 C1b C 52.8912 -37.2621
136 C1b C 54.0887 -37.9666
137 C1b C 55.2861 -37.2621
138 N1b N 56.4836 -37.9666
139 C2c C 57.6810 -37.2621
140 N1a N 58.8785 -37.9666
141 N2a N 57.6810 -35.8534
142 C1a C 44.4388 -31.2750
143 C1a C 42.0439 -31.2750
144 C1b C 48.3126 -35.3606
145 C8y C 27.5339 -31.9089
146 C8y C 27.5339 -33.3176
147 C8x C 29.7175 -32.6133
148 N4x N 28.8723 -31.4863
149 C8x C 26.3365 -31.2046
150 C8x C 25.0686 -31.9089
151 C8x C 25.0686 -33.3176
152 C8x C 26.3365 -34.0220
153 N1a N 52.8555 -27.4958
154 N1b N 48.3126 -36.6275
155 C2c C 47.2256 -37.1960
156 N1a N 47.2256 -38.4630
157 N2a N 46.1362 -36.6271
158 C6a C 30.1000 -42.9800
159 C1a C 31.3124 -43.6800
160 O6a O 28.8876 -43.6800
161 O6a O 30.1000 -41.5800
162 C6a C 30.1000 -42.9800
163 C1a C 31.3124 -43.6800
164 O6a O 28.8876 -43.6800
165 O6a O 30.1000 -41.5800
166 C6a C 30.1000 -42.9800
167 C1a C 31.3124 -43.6800
168 O6a O 28.8876 -43.6800
169 O6a O 30.1000 -41.5800
170 C6a C 30.1000 -42.9800
171 C1a C 31.3124 -43.6800
172 O6a O 28.8876 -43.6800
173 O6a O 30.1000 -41.5800
174 C6a C 30.1000 -42.9800
175 C1a C 31.3124 -43.6800
176 O6a O 28.8876 -43.6800
177 O6a O 30.1000 -41.5800
178 C6a C 30.1000 -42.9800
179 C1a C 31.3124 -43.6800
180 O6a O 28.8876 -43.6800
181 O6a O 30.1000 -41.5800
BOND 180
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 7 8 1
8 8 9 1
9 9 10 1
10 9 11 2
11 10 12 1
12 12 13 1
13 12 14 1 #Up
14 14 15 1
15 13 16 1
16 4 17 1
17 17 18 2
18 17 19 1
19 19 20 1 #Up
20 13 21 2
21 22 23 1
22 23 16 1
23 16 24 1
24 24 25 1
25 22 25 1
26 24 26 1
27 26 27 2
28 26 28 1
29 28 29 1
30 29 30 1
31 15 31 1
32 31 32 1
33 32 33 1
34 19 34 1
35 34 35 1
36 35 36 1
37 36 37 1
38 35 38 2
39 36 39 1 #Down
40 39 40 1
41 41 42 2
42 42 43 1
43 43 40 2
44 40 44 1
45 44 45 2
46 41 45 1
47 37 46 1
48 46 47 1
49 46 48 2
50 47 49 1
51 49 50 1
52 47 51 1 #Down
53 52 53 1
54 53 54 2
55 54 55 1
56 55 50 1
57 52 50 2
58 20 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 59 61 2
64 51 62 1
65 63 62 1 #Up
66 62 64 2
67 63 65 1
68 65 66 1
69 66 67 1
70 63 68 1
71 68 69 1
72 69 70 1
73 66 71 2
74 67 72 1
75 67 73 1
76 72 74 1
77 74 75 1
78 74 76 2
79 70 77 1
80 70 78 2
81 73 79 1
82 79 80 1
83 80 81 1
84 75 82 1
85 75 83 1 #Down
86 83 84 1
87 82 85 1
88 85 86 1
89 85 87 2
90 86 88 1
91 86 89 1 #Down
92 89 90 1
93 90 91 1
94 91 92 1
95 90 93 2
96 88 94 1
97 94 95 2
98 95 96 1
99 96 97 2
100 97 98 1
101 98 99 2
102 94 99 1
103 97 100 1
104 101 102 2
105 102 103 1
106 103 104 1
107 104 105 1
108 29 102 1 #Up
109 105 106 1
110 105 107 2
111 106 108 1
112 108 109 1
113 108 110 1 #Up
114 110 111 1
115 110 112 2
116 113 111 1 #Up
117 109 114 1
118 113 115 1
119 113 116 1
120 116 117 1
121 116 118 2
122 117 119 1
123 119 120 1
124 119 121 1 #Down
125 121 122 2
126 121 123 1
127 124 123 1 #Down
128 124 125 1
129 125 126 1
130 125 127 2
131 114 128 1
132 128 129 1
133 115 130 1
134 130 131 1
135 131 132 1
136 132 133 1
137 120 134 1
138 124 135 1
139 135 136 1
140 136 137 1
141 137 138 1
142 138 139 1
143 139 140 1
144 139 141 2
145 30 142 1
146 30 143 1
147 134 144 1
148 145 146 1
149 146 1 1
150 1 147 2
151 147 148 1
152 145 148 1
153 145 149 2
154 149 150 1
155 150 151 2
156 151 152 1
157 146 152 2
158 129 153 1
159 144 154 1
160 154 155 1
161 155 156 1
162 155 157 2
163 158 159 1
164 158 160 1
165 158 161 2
166 162 163 1
167 162 164 1
168 162 165 2
169 166 167 1
170 166 168 1
171 166 169 2
172 170 171 1
173 170 172 1
174 170 173 2
175 174 175 1
176 174 176 1
177 174 177 2
178 178 179 1
179 178 180 1
180 178 181 2
BRACKET 1 27.7900 -44.3800 27.7900 -40.8800
1 33.0400 -40.8800 33.0400 -44.3800
1 6
ORIGINAL 1 158 159 160 161
REPEAT 1 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177
1 178 179 180 181
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