PPIRE17745

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 UNC10245104
Peptide_Sequence RQIKIWFQNRREDGGSFWYGAMKALYG
Peptide_Length 27
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)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](Cc1ccc(O)cc1)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 3278.74
Aliphatic_Index 50.74074
Aromaticity 0.22222
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 2.99791
Isoelectric_Point 10.44389
Number_of_Hydrogen_Bond_Acceptors 42
Number_of_Hydrogen_Bond_Donors 49
Topological_Polar_Surface_Area 1353.80000
X_logP_energy -9.92409
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