PPIRE14076

Target Protein Information
Protein_Name None
Protein_Sequence MQADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
Organism_Source Bos taurus
Functional_Classification calcium-binding messenger proteins
Cellular_Localization Cytoplasm
Gene_Names CALM1
UniProt_ID A0AAF6ZWW2
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name secretin
Peptide_Sequence HSDGTFTSELSRLREGARLHQLAFDTYS
Peptide_Length 28
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3195.46
Aliphatic_Index 62.85714
Aromaticity 0.10714
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 -0.81661
Isoelectric_Point 6.50504
Number_of_Hydrogen_Bond_Acceptors 47
Number_of_Hydrogen_Bond_Donors 53
Topological_Polar_Surface_Area 1446.21000
X_logP_energy -17.81389
Interaction Information
Affinity IC50=2 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Specific binding of vasoactive intestinal peptide to human circulating mononuclear cells.
Release_Year 1985
PMID 6311383
DOI 10.1139/y83-103