PDB Entry (5r5l)

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Visualizer: MichelaNGLo

PDB ID: 5r5l Resolution: 1.63 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
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
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
-