PPIRE03908
Target Protein Information
| Protein_Name | Carbonic anhydrase 2 |
|---|---|
| Protein_Sequence | MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK |
| Organism_Source | Homo sapiens |
| Functional_Classification | carbonic anhydrases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CA2 |
| UniProt_ID | P00918 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | compound 13 |
|---|---|
| Peptide_Sequence | MF |
| Peptide_Length | 2 |
| Peptide_SMILES | CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Myristoylation |
| C-terminal_Modification | 3,4-dihydroquinolin-2(1H)-one amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 296.38 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.50000 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 3 |
| Topological_Polar_Surface_Area | 92.42000 |
| X_logP_energy | 0.87890 |
Interaction Information
| Affinity | Ki=65.7 uM |
|---|---|
| Affinity_Assay | stopped-flow |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis of new 7-amino-3,4-dihydroquinolin-2(1H)-one-peptide derivatives and their carbonic anhydrase enzyme inhibition, antioxidant, and cytotoxic activities. |
| Release_Year | 2021 |
| PMID | 34313324 |
| DOI | 10.1002/ardp.202100122 |