| Entry |
|
|---|
| Name |
Secretin (JAN/USAN/INN);
Chirhostim (TN);
Secrepan (TN)
|
|---|
| Product |
|
|---|
| Formula |
C128H216N44O38(R1)(R2)
|
|---|
| Structure |
   |
|---|
| Simcomp |
 |
|---|
| Sequence |
His Ser Asp Gly Thr Phe Thr Ser Glu Leu Ser Arg Leu Arg Glu Gly
Ala Arg Leu Gln Arg Leu Leu Gln Gly Leu Val-NH2 |
|---|
| Type |
Peptide |
|---|
| Remark |
|
|---|
| Efficacy |
Diagnostic, Stimulant (pancreatic, gastric secretion), Secretin receptor agonist |
|---|
| Comment |
Secretin (human) (CAS: 108153-74-8) (R1 = -H, R2 = -CH2COOH)
Secretin (porcine) (CAS: 17034-35-4) (R1 = -CH2OH, R2 = -COOH)
Stimulated pancreatic and gastric secretions to aid in the diagnosis pancreatic exocrine dysfunction and the diagnosis of gastrinoma
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
V VARIOUS
V04 DIAGNOSTIC AGENTS
V04C OTHER DIAGNOSTIC AGENTS
V04CK Tests for pancreatic function
V04CK01 Secretin
D02021 Secretin (JAN/USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Secretin receptor family
Secretin
SCTR
D02021 Secretin (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D02021
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D02021
 |
|---|
| Other DBs |
|
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| LinkDB |
 |
|---|
| KCF data |
ATOM 212
1 C1c C 8.6256 -14.7349
2 C5a C 9.8270 -15.4304
3 N1b N 11.0345 -14.7345
4 N5x N 11.0341 -13.3432
5 C8y C 9.8256 -12.6479
6 C1b C 8.6251 -13.3437
7 C8x C 12.0656 -12.4122
8 C8x C 11.5013 -11.1862
9 N4x N 10.1163 -11.2905
10 N1a N 7.4179 -15.4310
11 O5a O 9.8273 -16.8317
12 C1c C 12.2389 -15.4334
13 C1b C 12.2379 -16.8317
14 O1a O 13.4454 -17.5282
15 N1b N 14.6545 -15.4422
16 C5a C 13.4472 -14.7385
17 O5a O 13.4484 -13.3463
18 C1c C 15.8597 -14.7380
19 C5a C 17.0733 -15.4451
20 N1b N 18.2823 -14.7502
21 O6a O 18.2833 -13.3510
22 C6a C 17.0696 -12.6511
23 C1b C 15.8607 -13.3459
24 O6a O 17.0704 -11.2767
25 O5a O 17.0723 -16.8477
26 C1b C 19.5010 -15.4531
27 C5a C 20.7022 -14.7580
28 N1b N 21.9121 -15.4560
29 C1c C 23.1158 -14.7595
30 O5a O 20.7032 -13.3658
31 C5a C 24.3241 -15.4566
32 N1b N 25.5338 -14.7611
33 C1a C 24.3263 -12.3229
34 C1c C 23.1167 -13.0182
35 O5a O 24.3232 -16.8514
36 O1a O 21.9189 -12.3234
37 C1c C 26.7416 -15.4619
38 C1b C 26.7406 -16.8516
39 C8y C 27.9496 -17.5487
40 C8x C 29.1593 -16.8531
41 N1b N 29.1602 -15.4634
42 C5a C 27.9514 -14.7660
43 C8x C 27.9487 -18.9419
44 C8x C 29.1575 -19.6392
45 C8x C 30.3600 -18.9434
46 C8x C 30.3680 -17.5502
47 O5a O 27.9523 -13.3690
48 C1c C 30.3754 -14.7643
49 C5a C 31.5761 -15.4609
50 N1b N 32.7857 -14.7651
51 C1a C 31.5792 -12.2575
52 C1c C 30.3764 -12.9531
53 O1a O 29.1684 -12.2566
54 O5a O 31.5751 -16.8536
55 C1c C 33.9989 -15.4649
56 C1b C 33.9978 -16.8536
57 O1a O 35.1998 -17.5509
58 N1b N 36.4107 -15.4663
59 C5a C 35.2017 -14.7690
60 O5a O 35.2025 -13.3704
61 C1c C 37.6265 -14.7671
62 C5a C 38.8259 -15.4631
63 N1b N 40.0357 -14.7673
64 C1b C 38.8303 -12.6782
65 C1b C 37.6274 -13.3739
66 O5a O 38.8251 -16.8549
67 C6a C 38.8316 -11.2814
68 O6a O 40.0418 -10.5859
69 O6a O 37.6299 -10.5835
70 C1c C 41.2484 -15.4667
71 C1b C 41.2475 -16.8548
72 C1c C 42.4495 -17.5521
73 C1a C 43.6596 -16.8565
74 N1b N 43.6605 -15.4684
75 C5a C 42.4515 -14.7709
76 C1a C 42.4487 -18.9447
77 O5a O 42.4521 -13.3715
78 C1c C 44.8782 -14.7682
79 C5a C 46.0780 -15.4644
80 O1a O 46.0821 -12.6790
81 C1b C 44.8790 -13.3749
82 C5a C 48.4965 -16.8583
83 C1c C 48.4974 -15.4660
84 N1b N 47.2881 -14.7683
85 O5a O 46.0769 -16.8565
86 O5a O 49.7045 -17.5592
87 C1b C 49.7079 -14.7658
88 C1b C 49.7088 -13.3729
89 C1b C 50.9224 -12.6748
90 N1b N 50.9232 -11.2841
91 C2c C 49.7151 -10.5871
92 N1a N 48.5115 -11.2834
93 N2a N 49.7161 -9.1934
94 N1b N 47.2883 -17.5536
95 C1c C 47.3001 -18.9487
96 C5a C 46.1043 -19.6575
97 N1b N 46.1388 -21.0511
98 C1a C 47.2855 -21.7360
99 C1c C 48.4813 -21.0271
100 C1b C 48.5169 -19.6335
101 C1a C 49.6882 -21.7066
102 O5a O 44.8842 -18.9463
103 C1c C 44.8712 -21.7126
104 C1b C 43.6731 -20.9956
105 C1b C 42.4633 -21.6924
106 C1b C 41.2605 -20.9956
107 N1b N 40.0507 -21.6924
108 C2c C 38.8413 -20.9956
109 N1a N 37.6385 -21.6924
110 C5a C 44.8883 -23.0853
111 O5a O 46.1450 -23.7649
112 N1b N 43.7322 -23.7994
113 C1c C 43.7668 -25.2080
114 N2a N 38.8413 -19.5871
115 C5a C 42.5015 -25.9163
116 N1b N 42.5152 -27.3162
117 Z R# 44.9270 -27.2853
118 C1b C 44.9129 -25.8924
119 O5a O 41.2806 -25.2358
120 C1c C 41.2899 -27.9982
121 C5a C 40.0948 -27.2891
122 N1b N 38.8783 -27.9733
123 Z R# 41.2755 -29.3982
124 O5a O 40.1092 -25.9101
125 C1c C 37.6693 -27.2609
126 C5a C 36.4665 -27.9575
127 O5a O 36.4650 -29.3507
128 C1a C 37.6763 -25.8677
129 N1b N 35.2544 -27.2599
130 C1c C 34.0451 -27.9565
131 C5a C 32.8425 -27.2599
132 N1b N 31.6315 -27.9575
133 C1c C 30.4209 -27.2602
134 O5a O 32.8425 -25.8672
135 C1b C 34.0451 -29.3506
136 C1b C 32.8413 -30.0475
137 C1b C 32.8406 -31.4407
138 N1b N 31.6315 -32.1364
139 C2c C 30.4224 -31.4394
140 N1a N 29.2179 -32.1365
141 N2a N 30.4229 -30.0475
142 C1b C 30.4209 -25.8677
143 C1c C 29.2186 -25.1714
144 C1a C 28.0091 -25.8677
145 N1b N 28.0091 -27.2602
146 C5a C 29.2186 -27.9570
147 O5a O 29.2186 -29.3507
148 C1a C 29.2186 -23.7777
149 C1c C 26.7969 -27.9577
150 C5a C 25.5947 -27.2604
151 N1b N 24.3851 -27.9565
152 C1b C 25.5935 -30.0470
153 C1b C 26.7964 -29.3507
154 O5a O 25.5953 -25.8682
155 C5a C 25.5938 -31.4412
156 O5a O 26.7967 -32.1374
157 N1a N 24.3847 -32.1381
158 C1c C 23.1754 -27.2591
159 C5a C 21.9701 -27.9567
160 C1b C 23.1762 -25.8682
161 N1b N 20.7614 -27.2596
162 C1c C 19.5497 -27.9570
163 C1b C 24.3839 -25.1732
164 C1b C 24.3839 -23.7784
165 N1b N 25.5935 -23.0817
166 C2c C 25.5941 -21.6812
167 N2a N 26.7969 -20.9851
168 N1a N 24.3849 -20.9842
169 O5a O 21.9694 -29.3514
170 C5a C 18.3479 -27.2599
171 N1b N 17.1381 -27.9562
172 C1a C 17.1374 -29.3494
173 C1c C 18.3462 -30.0465
174 C1b C 19.5490 -29.3501
175 C1a C 18.3457 -31.4414
176 O5a O 18.3486 -25.8684
177 C1c C 15.9281 -27.2586
178 C1b C 15.9287 -25.8684
179 C1c C 14.7265 -25.1712
180 C1a C 13.5168 -25.8672
181 O5a O 13.5162 -27.2575
182 C5a C 14.7253 -27.9546
183 C1a C 14.7272 -23.7780
184 N1b N 14.7224 -29.3512
185 C1c C 13.5112 -30.0453
186 C1b C 12.3050 -29.3469
187 C5a C 13.5080 -31.4412
188 C1b C 12.3017 -27.9580
189 C5a C 11.0974 -27.2643
190 N1a N 9.8916 -27.9627
191 O5a O 11.1638 -25.8677
192 O5a O 12.3000 -32.1333
193 N1b N 14.7187 -32.1419
194 C1b C 14.7222 -33.5306
195 C5a C 15.9262 -34.2242
196 N1b N 17.1320 -33.5258
197 C1c C 18.3481 -34.2221
198 C1b C 18.3518 -35.6204
199 C1c C 19.5560 -36.3141
200 C1a C 20.7636 -35.6144
201 N1b N 20.7601 -34.2160
202 C5a C 19.5490 -33.5224
203 O5a O 15.9298 -35.6204
204 O5a O 19.5454 -32.1374
205 C1a C 19.5495 -37.7108
206 C1c C 21.9555 -33.5194
207 C5a C 23.1771 -34.2189
208 C1c C 21.9521 -31.4410
209 C1a C 20.7561 -30.7519
210 C1a C 23.1680 -30.7365
211 O5a O 24.3783 -33.5233
212 N1a N 23.1808 -35.6208
BOND 213
1 1 2 1
2 2 3 1
3 4 5 2
4 5 6 1
5 1 6 1
6 4 7 1
7 7 8 2
8 8 9 1
9 5 9 1
10 1 10 1
11 2 11 2
12 3 12 1
13 12 13 1
14 13 14 1
15 15 16 1
16 12 16 1
17 16 17 2
18 15 18 1
19 18 19 1
20 19 20 1
21 21 22 2
22 22 23 1
23 18 23 1
24 22 24 1
25 19 25 2
26 20 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 27 30 2
31 29 31 1
32 31 32 1
33 33 34 1
34 29 34 1
35 31 35 2
36 34 36 1
37 32 37 1
38 37 38 1
39 38 39 1
40 39 40 1
41 41 42 1
42 37 42 1
43 39 43 2
44 43 44 1
45 44 45 2
46 45 46 1
47 40 46 2
48 42 47 2
49 41 48 1
50 48 49 1
51 49 50 1
52 51 52 1
53 48 52 1
54 52 53 1
55 49 54 2
56 50 55 1
57 55 56 1
58 56 57 1
59 58 59 1
60 55 59 1
61 59 60 2
62 58 61 1
63 61 62 1
64 62 63 1
65 64 65 1
66 61 65 1
67 62 66 2
68 64 67 1
69 67 68 2
70 67 69 1
71 63 70 1
72 70 71 1
73 71 72 1
74 72 73 1
75 74 75 1
76 70 75 1
77 72 76 1
78 75 77 2
79 74 78 1
80 78 79 1
81 80 81 1
82 78 81 1
83 82 83 1
84 83 84 1
85 79 84 1
86 79 85 2
87 82 86 2
88 83 87 1
89 87 88 1
90 88 89 1
91 89 90 1
92 90 91 1
93 91 92 1
94 91 93 2
95 82 94 1
96 95 96 1
97 96 97 1
98 98 99 1
99 99 100 1
100 95 100 1
101 99 101 1
102 96 102 2
103 97 103 1
104 103 104 1
105 104 105 1
106 105 106 1
107 106 107 1
108 107 108 1
109 108 109 1
110 103 110 1
111 110 111 2
112 110 112 1
113 112 113 1
114 108 114 2
115 113 115 1
116 115 116 1
117 117 118 1
118 113 118 1
119 115 119 2
120 116 120 1
121 120 121 1
122 121 122 1
123 120 123 1
124 121 124 2
125 122 125 1
126 125 126 1
127 126 127 2
128 125 128 1
129 126 129 1
130 129 130 1
131 130 131 1
132 131 132 1
133 132 133 1
134 131 134 2
135 130 135 1
136 135 136 1
137 136 137 1
138 137 138 1
139 138 139 1
140 139 140 1
141 139 141 2
142 133 142 1
143 142 143 1
144 143 144 1
145 145 146 1
146 133 146 1
147 146 147 2
148 143 148 1
149 145 149 1
150 149 150 1
151 150 151 1
152 152 153 1
153 149 153 1
154 150 154 2
155 152 155 1
156 155 156 2
157 155 157 1
158 151 158 1
159 158 159 1
160 158 160 1
161 159 161 1
162 161 162 1
163 160 163 1
164 163 164 1
165 164 165 1
166 165 166 1
167 166 167 2
168 166 168 1
169 159 169 2
170 162 170 1
171 170 171 1
172 172 173 1
173 173 174 1
174 162 174 1
175 173 175 1
176 170 176 2
177 171 177 1
178 177 178 1
179 178 179 1
180 179 180 1
181 181 182 2
182 177 182 1
183 179 183 1
184 182 184 1
185 184 185 1
186 185 186 1
187 185 187 1
188 186 188 1
189 188 189 1
190 189 190 1
191 189 191 2
192 187 192 2
193 187 193 1
194 193 194 1
195 194 195 1
196 195 196 1
197 196 197 1
198 197 198 1
199 198 199 1
200 199 200 1
201 201 202 1
202 197 202 1
203 195 203 2
204 202 204 2
205 199 205 1
206 201 206 1
207 206 207 1
208 206 208 1
209 208 209 1
210 208 210 1
211 207 211 2
212 207 212 1
213 94 95 1
|
|---|
