PPIRE17744

Target Protein Information
Protein_Name Calcium and integrin-binding protein 1
Protein_Sequence MGGSGSRLSKELLAEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPFEQILSLPELKANPFKERICRVFSTSPAKDSLSFEDFLDLLSVFSDTATPDIKSHYAFRIFDFDDDGTLNREDLSRLVNCLTGEGEDTRLSASEMKQLIDNILEESDIDRDGTINLSEFQHVISRSPDFASSFKIVL
Organism_Source Homo sapiens
Functional_Classification EF hand proteins
Cellular_Localization Cytoplasm
Gene_Names CIB1
UniProt_ID Q99828
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name UNC10245351
Peptide_Sequence GRKKRRQRRRPQEDGGSFAYGAMKALAG
Peptide_Length 28
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3148.60
Aliphatic_Index 28.21429
Aromaticity 0.07143
Average_Rotatable_Bonds 3.96429
Charge_at_pH_7 6.99845
Isoelectric_Point 12.23550
Hydrogen_Bond_Acceptors 45
Hydrogen_Bond_Donors 55
Topological_Polar_Surface_Area 1490.93000
X_logP_energy -18.94968
Interaction Information
Affinity IC50=10000 nM
Affinity_Assay fluorescence resonance energy transfer
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Discovery and Characterization of Peptide Inhibitors for CIB1
Release_Year 2020
PMID 32383857
DOI 10.1021/acschembio.0c00144