PDB Entry (5qtn)

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Visualizer: MichelaNGLo

PDB ID: 5qtn Resolution: 1.83 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
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
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
-