| Entry |
|
|---|
| Name |
Giractide (INN) |
|---|
| Formula |
C100H156N34O22S
|
|---|
| Exact mass |
2217.1854
|
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| Mol weight |
2218.59
|
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| Structure |
|
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| Simcomp |
|
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| Sequence |
Gly Tyr Ser Met Glu His Phe Arg Trp Gly Lys Pro Val Gly Lys Lys
Arg Arg-NH2 |
|---|
| Type |
Peptide |
|---|
| Class |
Hormonal agent
DG01629 Adrenocorticotropic hormone (ACTH)
|
|---|
| Remark |
|
|---|
| Efficacy |
Melanocortin 2 receptor agonist |
|---|
| Comment |
syntheses Corticotropin (ACTH) [CPD: C02017]
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04925 | Aldosterone synthesis and secretion |
| hsa04927 | Cortisol synthesis and secretion |
|
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| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01629 Adrenocorticotropic hormone (ACTH)
DG01344 Giractide
D09937 Giractide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Melanocortin
MC2R
D09937 Giractide (INN)
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 157
1 C8y C 11.9000 -19.0400
2 C1b C 13.1600 -19.7400
3 C1c C 14.3500 -19.0400
4 N1b N 15.5400 -19.7400
5 C5a C 14.3500 -16.5200
6 O5a O 13.1600 -15.8200
7 N1b N 15.5400 -15.8200
8 C1b C 16.8000 -16.5200
9 C5a C 17.9900 -15.7500
10 N1b N 19.1800 -16.4500
11 O5a O 17.9900 -14.3500
12 C1c C 20.3700 -15.7500
13 C5a C 21.5600 -16.4500
14 C1b C 20.3700 -14.3500
15 C1b C 21.5600 -13.6500
16 N1y N 22.7500 -15.7500
17 C5a C 15.5400 -21.1400
18 O5a O 14.3500 -21.8400
19 C1c C 16.7300 -21.8400
20 C1b C 16.7300 -23.2400
21 O5a O 21.5600 -17.8500
22 C1x C 24.6400 -14.4200
23 C1x C 23.1700 -14.4200
24 C1y C 23.9400 -16.5900
25 C1x C 25.0600 -15.7500
26 C5a C 23.9400 -18.2700
27 O5a O 22.6800 -18.9700
28 N1b N 25.1300 -18.9700
29 C1c C 26.3200 -18.2700
30 C1c C 26.3200 -17.2900
31 C1b C 21.5600 -12.1800
32 C1b C 22.7500 -11.4800
33 N1a N 22.7500 -10.0800
34 N1b N 17.9200 -21.1400
35 C5a C 19.1100 -21.8400
36 C1c C 20.3000 -21.1400
37 N1b N 21.4900 -21.8400
38 O5a O 19.1100 -23.2400
39 C1b C 20.3000 -19.7400
40 C8y C 19.0400 -19.1100
41 C8x C 16.5900 -17.7100
42 C8x C 16.5900 -19.1100
43 C8x C 17.7800 -19.8100
44 C8x C 19.0400 -17.7100
45 C8x C 17.7800 -17.0100
46 C5a C 22.6800 -21.1400
47 C1c C 23.9400 -21.8400
48 O5a O 22.6800 -19.8800
49 C1b C 25.1300 -21.1400
50 C8y C 26.3200 -21.8400
51 N1b N 23.9400 -23.7300
52 C8x C 26.7400 -23.1700
53 N5x N 28.1400 -23.1700
54 C8x C 28.5600 -21.9100
55 N4x N 27.4400 -21.0000
56 C1b C 15.5400 -23.9400
57 C1b C 14.3500 -23.2400
58 N1b N 13.1600 -23.9400
59 C2c C 11.9000 -23.2400
60 N1a N 10.7100 -23.9400
61 N2a N 11.9000 -21.8400
62 C5a C 25.1300 -24.4300
63 C1c C 25.1300 -25.9000
64 O5a O 26.3200 -23.7300
65 N1b N 26.3200 -26.6000
66 C5a C 27.5100 -25.9000
67 C1c C 28.7000 -26.6000
68 C1b C 23.9400 -26.6000
69 C1b C 22.6800 -25.9000
70 C6a C 21.4900 -26.6000
71 O5a O 27.5100 -24.4300
72 N1b N 29.8900 -25.9000
73 C1b C 28.7000 -28.0000
74 C5a C 31.0800 -26.6000
75 C1c C 32.2700 -25.9000
76 O5a O 31.0800 -27.7200
77 O6a O 20.3000 -25.9000
78 O6a O 21.4900 -28.0000
79 C1b C 27.5100 -28.7000
80 S2a S 26.3200 -28.0000
81 C1a C 25.1300 -28.7000
82 N1b N 33.4600 -26.6000
83 C1b C 32.2700 -24.4300
84 O1a O 33.4600 -23.7300
85 C5a C 34.6500 -25.9000
86 C1c C 35.9100 -26.6000
87 O5a O 34.6500 -24.4300
88 C1b C 37.1000 -25.9000
89 N1b N 35.9100 -28.0000
90 C5a C 34.6500 -28.7000
91 C1b C 33.4600 -28.0000
92 N1a N 32.2700 -28.7000
93 O5a O 34.6500 -30.1000
94 C8y C 38.3600 -26.6000
95 C8x C 38.3600 -28.0000
96 C8x C 39.5500 -28.7000
97 C8y C 40.7400 -28.0000
98 C8x C 40.7400 -26.6000
99 C8x C 39.5500 -25.9000
100 O1a O 42.0000 -28.7000
101 O5a O 27.5100 -20.0900
102 C5a C 27.5100 -18.9700
103 N1b N 28.7000 -18.3400
104 C1b C 28.7000 -16.8000
105 C5a C 29.8900 -16.1700
106 N1b N 29.8900 -14.7700
107 O5a O 31.1500 -16.8700
108 C1c C 31.1500 -14.0700
109 C1b C 31.1500 -12.6700
110 C5a C 32.3400 -14.8400
111 N1b N 33.5300 -14.1400
112 O5a O 32.3400 -16.2400
113 C1c C 34.7200 -14.8400
114 C1b C 32.3400 -11.9700
115 C1b C 35.9800 -14.1400
116 C5a C 34.7200 -16.3100
117 N1b N 33.5300 -16.9400
118 O5a O 35.9800 -17.0100
119 C1c C 33.5300 -18.3400
120 C1b C 32.4100 -18.8300
121 C5a C 34.7200 -19.0400
122 O5a O 36.0500 -18.3400
123 N1b N 34.7200 -20.4400
124 C1c C 35.9800 -21.1400
125 C5a C 37.2400 -20.4400
126 N1a N 37.2400 -19.0400
127 O5a O 38.4300 -21.1400
128 C1b C 33.5300 -12.6700
129 C1b C 34.7200 -12.0400
130 C1b C 37.2400 -14.9100
131 C1b C 38.5000 -14.1400
132 C1b C 39.6900 -14.9100
133 N1a N 40.8800 -14.2100
134 C1b C 32.4100 -20.0900
135 C1b C 35.9800 -22.5400
136 C1b C 37.1700 -23.2400
137 C1b C 38.3600 -22.5400
138 N1b N 39.5500 -23.2400
139 C2c C 40.7400 -22.5400
140 N1a N 41.9300 -23.2400
141 N2a N 40.7400 -21.1400
142 C1a C 27.5100 -16.5900
143 C1a C 25.1300 -16.5900
144 C1b C 31.3600 -20.6500
145 C8y C 10.5700 -17.2200
146 C8y C 10.5700 -18.6200
147 C8x C 12.8100 -17.9200
148 N4x N 11.9000 -16.8000
149 C8x C 9.3800 -16.5200
150 C8x C 8.1200 -17.2200
151 C8x C 8.1200 -18.6200
152 C8x C 9.3800 -19.3200
153 N1a N 35.9100 -12.8100
154 N1b N 31.3600 -21.9100
155 C2c C 30.3100 -22.4700
156 N1a N 30.3100 -23.7300
157 N2a N 29.1900 -21.9100
BOND 162
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
|
|---|
