PDB Entry (6uo8) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6uo8 | Resolution: 3.63 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 32555460 | DOI: 10.1038/s41586-020-2408-4 | |
Protein |
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Protein Name: Gamma-aminobutyric acid type B receptor subunit 1 | |
Protein Class: SIGNALING PROTEIN | |
Uniprot ID/ACC: Q9UBS5 (GABR1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: GABBR1 | Gene ID: 2550 |
Pocket Descriptors | |
Volume: 341.632 | Depth: 25.2971 |
Hydrophobicity: 0.728033 | Drug Score: 0.0269592 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: (R)-(3-aminopropyl)methylphosphinic acid | ||
HET ID: QD7 | PubChem: 28559746, 5230 | |
DrugBank: - | ChEMBL: CHEMBL112710 | |
Canonical SMILES: NCCC[P@](=O)(O)C | ||
Standard InChI: InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7) | ||
Molecular Formula: C4H12NO2P | Mol. Weight: 137.11734 | Heavy Atoms: 8 |
Charge: 0 | Is Chiral: False | logP: 0.9357 |
HBD: 2 | HBA: 3 | TPSA: 73.13 |
#Bonds: 7 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
Stereocomplexity: 0.25 | Ligand Type: Small Molecule |
Binding Affinity |
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