PDB Entry (5qtn) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 5qtn | Resolution: 1.83 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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Protein Name: ADP-sugar pyrophosphatase | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: Q9UKK9 (NUDT5_HUMAN) | Organism: Homo sapiens |
Gene Symbol: NUDT5 | Gene ID: 11164 |
Pocket Descriptors | |
Volume: 497.152 | Depth: 27.6083 |
Hydrophobicity: 0.715481 | Drug Score: 0.04715 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 5-fluoro-1H-pyrrolo[2,3-b]pyridine | ||
HET ID: PWD | PubChem: 20784462 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Fc1cnc2c(c1)cc[nH]2 | ||
Standard InChI: InChI=1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10) | ||
Molecular Formula: C7H5FN2 | Mol. Weight: 136.1264 | Heavy Atoms: 10 |
Charge: 0 | Is Chiral: False | logP: 1.702 |
HBD: 1 | HBA: 1 | TPSA: 28.68 |
#Bonds: 12 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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