PDB Entry (5r5l) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 5r5l | Resolution: 1.63 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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Protein Name: Uridine diphosphate glucose pyrophosphatase NUDT22 | |
Protein Class: HYDROLASE | |
Uniprot ID/ACC: Q9BRQ3 (NUD22_HUMAN) | Organism: Homo sapiens |
Gene Symbol: NUDT22 | Gene ID: 84304 |
Pocket Descriptors | |
Volume: 993.856 | Depth: 25.8921 |
Hydrophobicity: 0.606796 | Drug Score: 0.354615 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 4-(methylsulfonylamino)benzamide | ||
HET ID: S2S | PubChem: 961874 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NC(=O)c1ccc(cc1)NS(=O)(=O)C | ||
Standard InChI: InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11) | ||
Molecular Formula: C8H10N2O3S | Mol. Weight: 214.2416 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: False | logP: 2.0111 |
HBD: 2 | HBA: 5 | TPSA: 97.64 |
#Bonds: 14 | #Rotatable Bonds: 3 | Shape Complexity: 0.125 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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