PPIRE14004
Target Protein Information
| Protein_Name | NF-kappa-B essential modulator |
|---|---|
| Protein_Sequence | MNRHLWKSQLCEMVQPSGGPAADQDVLGEESPLGKPAMLHLPSEQGAPETLQRCLEENQELRDAIRQSNQILRERCEELLHFQASQREEKEFLMCKFQEARKLVERLGLEKLDLKRQKEQALREVEHLKRCQQQMAEDKASVKAQVTSLLGELQESQSRLEAATKECQALEGRARAASEQARQLESEREALQQQHSVQVDQLRMQGQSVEAALRMERQAASEEKRKLAQLQVAYHQLFQEYDNHIKSSVVGSERKRGMQLEDLKQQLQQAEEALVAKQEVIDKLKEEAEQHKIVMETVPVLKAQADIYKADFQAERQAREKLAEKKELLQEQLEQLQREYSKLKASCQESARIEDMRKRHVEVSQAPLPPAPAYLSSPLALPSQRRSPPEEPPDFCCPKCQYQAPDMDTLQIHVMECIE |
| Organism_Source | Homo sapiens |
| Functional_Classification | scaffold proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | IKBKG |
| UniProt_ID | Q9Y6K9 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | antennapedia-NBD(wild-type) |
|---|---|
| Peptide_Sequence | DRQIKIWFQNRRMKWKKTALDWSWLQTE |
| Peptide_Length | 28 |
| 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](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)[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](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)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 | |
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Peptide Physicochemical
| Molecular_Weight | 3693.29 |
|---|---|
| Aliphatic_Index | 59.28571 |
| Aromaticity | 0.17857 |
| Average_Rotatable_Bonds | 4.46429 |
| Charge_at_pH_7 | 3.99946 |
| Isoelectric_Point | 11.19923 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 47 |
| Number_of_Hydrogen_Bond_Donors | 56 |
| Topological_Polar_Surface_Area | 1546.91000 |
| X_logP_energy | -9.87019 |
Interaction Information
| Affinity | IC50=28.5 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A homogeneous time-resolved fluorescence-based high-throughput screening system for discovery of inhibitors of IKKbeta-NEMO interaction. |
| Release_Year | 2010 |
| PMID | 20522330 |
| DOI | 10.1016/j.ab.2010.05.028 |