Entry
Name
Secretin (JAN/USAN/INN); Chirhostim (TN); Secrepan (TN)
Product
Formula
C128H216N44O38(R1)(R2)
Structure
Mol file KCF file DB search
Simcomp
Neighbor
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
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show 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