PPIPT02683
Target Protein Information
| Protein_Name | ATP-dependent translocase ABCB1 |
|---|---|
| Protein_Sequence | MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAIIHGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSGIGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVSKINEGIGDKIGMFFQSMATFFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFTDKELLAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISIGAAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQASPSIEAFANARGAAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHFSYPSRKEVKILKGLNLKVQSGQTVALVGNSGCGKSTTVQLMQRLYDPTEGMVSVDGQDIRTINVRFLREIIGVVSQEPVLFATTIAENIRYGRENVTMDEIEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIAGFDDGVIVEKGNHDELMKEKGIYFKLVTMQTAGNEVELENAADESKSEIDALEMSSNDSRSSLIRKRSTRRSVRGSQAQDRKLSTKEALDESIPPVSFWRIMKLNLTEWPYFVVGVFCAIINGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLALGIISFITFFLQGFTFGKAGEILTKRLRYMVFRSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGAIGSRLAVITQNIANLGTGIIISFIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTQEQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFGAYLVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMIIEKTPLIDSYSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKKGQTLALVGSSGCGKSTVVQLLERFYDPLAGKVLLDGKEIKRLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRVVSQEEIVRAAKEANIHAFIESLPNKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLDEATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQLLAQKGIYFSMVSVQAGTKRQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | ATP-binding cassette transporter (ABCB family) |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ABCB1 |
| UniProt_ID | P08183 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound No.3 |
|---|---|
| Peptide_Sequence | XK |
| Peptide_Length | 2 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)CN)C(=O)O |
| Chemical_Modification | X1=cyclohexanoyl; K2=benzyloxycarbonyl |
| Cyclization_Method | none |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Boc |
| C-terminal_Modification | tert-butyl ester |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 203.24 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | 0.99769 |
| Isoelectric_point | 9.70000 |
|---|---|
| Hydrogen_Bond_Acceptors | 4 |
| Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 118.44000 |
| X_logP_energy | -1.35650 |
Interaction Information
| Affinity | IC50=0.73 uM |
|---|---|
| Affinity_Assay | flow cytometry efflux assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | P-glycoprotein-specific non-competitive peptide and peptidomimetic modulators |
| Release_Year | 2012 |
| Patent_ID | US20120309811A1 |