secretin (Pig) [7260]
secretin (Pig)
| SMILES | CC(C)CC(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(N)Cc1ncc[nH]1)C(C)O)C(C)O)C(=O)NC(C(=O)O)C(C)C |
| InChIKey | KKNIUBFRGPFELP-UHFFFAOYSA-N |
| Sequence | HSDGTFTSELSRLRDSARLQRLLQGLV |
| HELM | PEPTIDE1{[*C(=O)C(Cc1[nH]ccn1)N |$_R2;;;;;;;;;;$|].(S,[dS]).(D,[dD]).G.[*C(=O)C(C(C)O)N* |$_R2;;;;;;;;_R1$|].(F,[dF]).[*C(=O)C(C(C)O)N* |$_R2;;;;;;;;_R1$|].(S,[dS]).(E,[dE]).(L,[dL]).(S,[dS]).(R,[dR]).(L,[dL]).(R,[dR]).(D,[dD]).(S,[dS]).(A,[dA]).(R,[dR]).(L,[dL]).(Q,[dQ]).(R,[dR]).(L,[dL]).(L,[dL]).(Q,[dQ]).G.(L,[dL]).(V,[dV])}$$$$V2.0 |
Chemical Properties
| Hydrogen bond acceptors | 44 |
| Hydrogen bond donors | 52 |
| Rotatable bonds | 105 |
| Log P | -17.444 |
| Molecular weight (Da) | 3054.6 |
| Stereochemistry info | unspecified |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
secretin (Pig)
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Endogenous |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0