Entry
Name
Sermorelin acetate (USAN); Sermorelin acetate hydrate; Geref (TN)
Formula
C149H246N44O42S. (C2H4O2)x. xH2O
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Diagnostic (pituitary function determination), Growth hormone releasing hormone receptor agonist
Comment
Growth hormone releasing hormone (GH-RH) analog
Target
Pathway
hsa04080 Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
H01A ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
H01AC Somatropin and somatropin agonists
H01AC04 Sermorelin
D02117 Sermorelin acetate (USAN)
V VARIOUS
V04 DIAGNOSTIC AGENTS
V04C OTHER DIAGNOSTIC AGENTS
V04CD Tests for pituitary function
V04CD03 Sermorelin
D02117 Sermorelin acetate (USAN)
Target-based classification of drugs [BR:br08310 ]
G Protein-coupled receptors
Secretin receptor family
Growth hormone-releasing hormone
GHRHR
D02117 Sermorelin acetate (USAN)
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 241
1 C1c C 23.4751 -8.5780
2 C1b C 23.4751 -9.9514
3 N1b N 22.2542 -7.8692
4 C5a C 24.6961 -7.8692
5 C8y C 24.7072 -10.6491
6 C5a C 21.0550 -8.5780
7 N1b N 25.8953 -8.5669
8 O5a O 24.6961 -6.4954
9 C8x C 24.7072 -12.0121
10 C8x C 25.8953 -9.9407
11 C1c C 19.8447 -7.8910
12 O5a O 21.0550 -9.9514
13 C1c C 27.1056 -7.8692
14 C8x C 25.8953 -12.7098
15 C8x C 27.1056 -10.6055
16 N1b N 18.6236 -8.5780
17 C1c C 19.8339 -6.4954
18 C5a C 28.3047 -8.5669
19 C1c C 27.1056 -6.4736
20 C8x C 27.1056 -12.0121
21 C5a C 17.4245 -7.9020
22 C1b C 21.0550 -5.8087
23 C1a C 18.6236 -5.8087
24 N1b N 29.5150 -7.8584
25 O5a O 28.3047 -9.9296
26 C1a C 28.3047 -5.7869
27 O1a O 25.8735 -5.7869
28 C1c C 16.2146 -8.5887
29 O5a O 17.4245 -6.5172
30 C1a C 21.0924 -4.4351
31 C1c C 30.7360 -8.5344
32 N1b N 14.9936 -7.9020
33 C1a C 16.2146 -9.9731
34 C5a C 31.9459 -7.8584
35 C1b C 30.7360 -9.9296
36 C5a C 13.7941 -8.5887
37 N1b N 33.1451 -8.5233
38 O5a O 31.9459 -6.4736
39 C5a C 31.9677 -10.6055
40 C1c C 12.5842 -7.9128
41 O5a O 13.7941 -9.9842
42 C1c C 34.3661 -7.8473
43 N1a N 31.9677 -11.9574
44 O5a O 33.1561 -9.9296
45 N1b N 11.3631 -8.5887
46 C1b C 12.5842 -6.5172
47 C5a C 35.5871 -8.5233
48 C1b C 34.3661 -6.4736
49 C5a C 10.1639 -7.9128
50 C6a C 13.7941 -5.8305
51 N1b N 36.7755 -7.8473
52 O5a O 35.5282 -9.9188
53 O1a O 35.5871 -5.7761
54 C1c C 8.9538 -8.5998
55 O5a O 10.1529 -6.5283
56 O6a O 14.9936 -6.5172
57 O6a O 13.7941 -4.4351
58 C1c C 37.9965 -8.5233
59 N1b N 7.7545 -7.9128
60 C1a C 8.9538 -9.9949
61 C1b C 39.1957 -7.8473
62 C5a C 37.9965 -9.9188
63 C5a C 6.5335 -8.6216
64 C8y C 39.1957 -6.4410
65 N1b N 39.2286 -10.5947
66 O5a O 36.7755 -10.5947
67 C1c C 5.3126 -7.9239
68 O5a O 6.5335 -9.9949
69 C8x C 40.4167 -5.7651
70 C8x C 37.9965 -5.7651
71 C1c C 39.1957 -12.9586
72 C1b C 5.3126 -6.5501
73 N1a N 4.1134 -8.6216
74 C8x C 40.4167 -4.3589
75 C8x C 37.9965 -4.3915
76 C5a C 37.9965 -13.6564
77 C1b C 40.4059 -13.6564
78 C8y C 6.5335 -5.8523
79 C8y C 39.1957 -3.6719
80 N1b N 37.9965 -15.0300
81 O5a O 36.7647 -12.9586
82 C1b C 40.4167 -15.0300
83 C8x C 7.7545 -6.5283
84 C8x C 6.5225 -4.4569
85 O1a O 39.1957 -2.2984
86 C1c C 36.7755 -15.7389
87 C1b C 41.6377 -15.7278
88 C8x C 8.9538 -5.8305
89 C8x C 7.7220 -3.7702
90 C5a C 35.5871 -15.0411
91 C1b C 36.7755 -17.1233
92 N1b N 41.6377 -17.1123
93 C8y C 8.9538 -4.4461
94 N1b N 34.3554 -15.7278
95 O5a O 35.5546 -13.6564
96 C1b C 37.9965 -17.8100
97 C2c C 40.4167 -17.7882
98 O1a O 10.1639 -3.7484
99 C1c C 33.1343 -15.0193
100 C1b C 38.0076 -19.1837
101 N1a N 40.3795 -19.1837
102 N2a N 39.2286 -17.1123
103 C5a C 31.9133 -15.6734
104 C1c C 33.0751 -13.6456
105 C1b C 39.2286 -19.8814
106 N1b N 30.7031 -14.9974
107 O5a O 31.9022 -17.0905
108 C1a C 34.2961 -12.9586
109 C1a C 31.8541 -12.9368
110 N1a N 39.1694 -21.2552
111 C1c C 29.5039 -15.6734
112 C5a C 28.2721 -14.9864
113 C1b C 29.4932 -17.0797
114 N1b N 27.0620 -15.6623
115 O5a O 28.2829 -13.5909
116 C1c C 28.2611 -17.7557
117 C1b C 25.8628 -14.9646
118 C1a C 27.0512 -17.0468
119 C1a C 28.2503 -19.1400
120 C5a C 24.6307 -15.6405
121 N1b N 23.4533 -14.9427
122 O5a O 24.6307 -17.0361
123 C1c C 22.2105 -15.6187
124 C5a C 21.0006 -14.9320
125 C1b C 22.2105 -17.0361
126 N1b N 19.7903 -15.6187
127 O5a O 21.0006 -13.5366
128 C1b C 21.0006 -17.7010
129 C1c C 18.5911 -14.9320
130 C5a C 20.9788 -19.0964
131 C5a C 17.3702 -15.6187
132 C1b C 18.5911 -13.5366
133 N1a N 22.2105 -19.7724
134 O5a O 19.7792 -19.7724
135 N1b N 16.1599 -14.9320
136 O5a O 17.3702 -17.0361
137 C1c C 17.3702 -12.8606
138 C1c C 14.9607 -15.6187
139 C1a C 17.3702 -11.4650
140 C1a C 16.1599 -13.5366
141 C5a C 13.7505 -14.9320
142 C1b C 14.9607 -17.0361
143 N1b N 12.5295 -15.6187
144 O5a O 13.7505 -13.5366
145 O1a O 13.7397 -17.7120
146 C1c C 11.3303 -14.9320
147 C5a C 10.1092 -15.6187
148 C1a C 11.3303 -13.5366
149 N1b N 8.8994 -14.9320
150 O5a O 10.1092 -17.0361
151 C1c C 7.7002 -15.6187
152 C5a C 7.7002 -17.0361
153 C1b C 6.4791 -14.9320
154 N1b N 6.4681 -17.7010
155 O5a O 8.8994 -17.7120
156 C1b C 6.4791 -13.5366
157 C1c C 6.4681 -19.0964
158 C1b C 5.2579 -12.8498
159 C5a C 5.2579 -19.7724
160 C1b C 7.7002 -19.7724
161 N1b N 4.0587 -13.5366
162 N1b N 5.2361 -21.1679
163 O5a O 4.0369 -19.0857
164 C1b C 8.8883 -19.0857
165 C2c C 4.0369 -14.9320
166 C1c C 6.4573 -21.8546
167 C1b C 10.0985 -19.7616
168 N1a N 2.8269 -15.6080
169 N2a N 5.2361 -15.6187
170 C5a C 6.4463 -23.2393
171 C1b C 7.6673 -21.1679
172 C1b C 11.3084 -19.0638
173 N1b N 7.6565 -23.9371
174 O5a O 5.2253 -23.9153
175 C1c C 8.8665 -21.8546
176 N1a N 12.5187 -19.7506
177 C1c C 7.6565 -25.3216
178 C1a C 8.8776 -23.2393
179 C1a C 10.0985 -21.1679
180 C5a C 8.8665 -26.0301
181 C1b C 6.4244 -26.0083
182 N1b N 10.0985 -25.3323
183 O5a O 8.8665 -27.4475
184 C1c C 6.4137 -27.4475
185 C1c C 11.3303 -26.0412
186 C1a C 5.1928 -28.1233
187 C1a C 7.6455 -28.1341
188 C5a C 12.5624 -25.3434
189 C1b C 11.3084 -27.4582
190 N1b N 13.7616 -26.0630
191 O5a O 12.5624 -23.9371
192 C1b C 12.5295 -28.1559
193 C1c C 14.9717 -25.3652
194 C5a C 12.5187 -29.5843
195 C5a C 16.2035 -26.0737
196 C1b C 14.9936 -23.9589
197 N1a N 13.7397 -30.2821
198 O5a O 11.2977 -30.2710
199 N1b N 17.4245 -25.3760
200 O5a O 16.2035 -27.4911
201 C6a C 16.2146 -23.2611
202 C1c C 18.6565 -26.0848
203 O6a O 17.4245 -23.9697
204 O6a O 16.2253 -21.8439
205 C5a C 19.8883 -25.3978
206 C1c C 18.6565 -27.4911
207 N1b N 21.0986 -26.1066
208 O5a O 19.8883 -23.9804
209 C1b C 17.4138 -28.1888
210 C1a C 19.8557 -28.2106
211 C1c C 22.3085 -25.3760
212 C1a C 17.4138 -29.6061
213 C5a C 23.5405 -26.0737
214 C1b C 22.2978 -23.9804
215 N1b N 24.7508 -25.3434
216 O5a O 23.5516 -27.4911
217 C1b C 23.4969 -23.2611
218 C1c C 25.9826 -26.0412
219 S2a S 23.4862 -21.8439
220 C5a C 27.1817 -25.3323
221 C1b C 26.0044 -27.4582
222 C1a C 24.7072 -21.1354
223 N1b N 28.4245 -26.0301
224 O5a O 27.1817 -23.9371
225 O1a O 24.7834 -28.1777
226 C1c C 29.6456 -25.3105
227 C1b C 29.7048 -23.9042
228 C5a C 30.8558 -25.9975
229 C1b C 30.9151 -23.1846
230 N1a N 32.0878 -25.2780
231 O5a O 30.8777 -27.4149
232 C1b C 30.9740 -21.7677
233 N1b N 32.1731 -21.0588
234 C2c C 32.1731 -19.6633
235 N1a N 33.3834 -18.9222
236 N2a N 30.9415 -18.9548
237 C6a C 38.1500 -24.7800
238 C1a C 39.3639 -25.4827
239 O6a O 36.9419 -25.4827
240 O6a O 38.1500 -23.3803
241 O0 O 38.9900 -27.8600
BOND 241
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 9 14 1
14 10 15 2
15 11 16 1
16 11 17 1
17 13 18 1
18 13 19 1
19 14 20 2
20 16 21 1
21 17 22 1
22 17 23 1
23 18 24 1
24 18 25 2
25 19 26 1
26 19 27 1
27 21 28 1
28 21 29 2
29 22 30 1
30 24 31 1
31 28 32 1
32 28 33 1
33 31 34 1
34 31 35 1
35 32 36 1
36 34 37 1
37 34 38 2
38 35 39 1
39 36 40 1
40 36 41 2
41 37 42 1
42 39 43 1
43 39 44 2
44 40 45 1
45 40 46 1
46 42 47 1
47 42 48 1
48 45 49 1
49 46 50 1
50 47 51 1
51 47 52 2
52 48 53 1
53 49 54 1
54 49 55 2
55 50 56 1
56 50 57 2
57 51 58 1
58 54 59 1
59 54 60 1
60 58 61 1
61 58 62 1
62 59 63 1
63 61 64 1
64 62 65 1
65 62 66 2
66 63 67 1
67 63 68 2
68 64 69 2
69 64 70 1
70 65 71 1
71 67 72 1
72 67 73 1
73 69 74 1
74 70 75 2
75 71 76 1
76 71 77 1
77 72 78 1
78 74 79 2
79 76 80 1
80 76 81 2
81 77 82 1
82 78 83 2
83 78 84 1
84 79 85 1
85 80 86 1
86 82 87 1
87 83 88 1
88 84 89 2
89 86 90 1
90 86 91 1
91 87 92 1
92 88 93 2
93 90 94 1
94 90 95 2
95 91 96 1
96 92 97 1
97 93 98 1
98 94 99 1
99 96 100 1
100 97 101 1
101 97 102 2
102 99 103 1
103 99 104 1
104 100 105 1
105 103 106 1
106 103 107 2
107 104 108 1
108 104 109 1
109 105 110 1
110 106 111 1
111 111 112 1
112 111 113 1
113 112 114 1
114 112 115 2
115 113 116 1
116 114 117 1
117 116 118 1
118 116 119 1
119 117 120 1
120 120 121 1
121 120 122 2
122 121 123 1
123 123 124 1
124 123 125 1
125 124 126 1
126 124 127 2
127 125 128 1
128 126 129 1
129 128 130 1
130 129 131 1
131 129 132 1
132 130 133 1
133 130 134 2
134 131 135 1
135 131 136 2
136 132 137 1
137 135 138 1
138 137 139 1
139 137 140 1
140 138 141 1
141 138 142 1
142 141 143 1
143 141 144 2
144 142 145 1
145 143 146 1
146 146 147 1
147 146 148 1
148 147 149 1
149 147 150 2
150 149 151 1
151 151 152 1
152 151 153 1
153 152 154 1
154 152 155 2
155 153 156 1
156 154 157 1
157 156 158 1
158 157 159 1
159 157 160 1
160 158 161 1
161 159 162 1
162 159 163 2
163 160 164 1
164 161 165 1
165 162 166 1
166 164 167 1
167 165 168 1
168 165 169 2
169 166 170 1
170 166 171 1
171 167 172 1
172 170 173 1
173 170 174 2
174 171 175 1
175 172 176 1
176 173 177 1
177 175 178 1
178 175 179 1
179 177 180 1
180 177 181 1
181 180 182 1
182 180 183 2
183 181 184 1
184 182 185 1
185 184 186 1
186 184 187 1
187 185 188 1
188 185 189 1
189 188 190 1
190 188 191 2
191 189 192 1
192 190 193 1
193 192 194 1
194 193 195 1
195 193 196 1
196 194 197 1
197 194 198 2
198 195 199 1
199 195 200 2
200 196 201 1
201 199 202 1
202 201 203 1
203 201 204 2
204 202 205 1
205 202 206 1
206 205 207 1
207 205 208 2
208 206 209 1
209 206 210 1
210 207 211 1
211 209 212 1
212 211 213 1
213 211 214 1
214 213 215 1
215 213 216 2
216 214 217 1
217 215 218 1
218 217 219 1
219 218 220 1
220 218 221 1
221 219 222 1
222 220 223 1
223 220 224 2
224 221 225 1
225 223 226 1
226 226 227 1
227 226 228 1
228 227 229 1
229 228 230 1
230 228 231 2
231 229 232 1
232 232 233 1
233 233 234 1
234 234 235 1
235 234 236 2
236 15 20 1
237 75 79 1
238 89 93 1
239 237 238 1
240 237 239 1
241 237 240 2
BRACKET 1 35.4900 -26.3200 35.4900 -22.6800
1 40.6700 -22.6800 40.6700 -26.3200
1 x
ORIGINAL 1 237 238 239 240
REPEAT 1
2 36.7500 -28.6300 36.7500 -27.0200
2 39.7600 -27.0200 39.7600 -28.6300
2 x
ORIGINAL 2 241
REPEAT 2