PDB Entry (6uo9)

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Visualizer: MichelaNGLo

PDB ID: 6uo9 Resolution: 4.8 Å Exp. Method: X-RAY DIFFRACTION
PMID: 32555460 DOI: 10.1038/s41586-020-2408-4
Protein
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: 184.384 Depth: 17.1599
Hydrophobicity: 0.723077 Drug Score: 0.0151846
Pocket Similarity: Calculate
Ligand
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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