PDB Entry (4r09)

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Visualizer: MichelaNGLo

PDB ID: 4r09 Resolution: 2.62 Å Exp. Method: X-RAY DIFFRACTION
PMID: 25599397 DOI: 10.1038/nsmb.2943
Protein
Protein Name: Toll-like receptor 8
Protein Class: SIGNALING PROTEIN
Uniprot ID/ACC: Q9NR97 (TLR8_HUMAN) Organism: Homo sapiens
Gene Symbol: TLR8 Gene ID: 51311
Pocket Descriptors
Volume: 71.168 Depth: 31.651
Hydrophobicity: 0.706522 Drug Score: 0.0114298
Pocket Similarity: Calculate
Ligand
Ligand Name:   URIDINE
HET ID:   URI PubChem:   6029
DrugBank:   DB02745 ChEMBL:   CHEMBL100259
Canonical SMILES:   OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O
Standard InChI:   InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Molecular Formula:   C9H12N2O6 Mol. Weight:   244.20139 Heavy Atoms:   17
Charge:   0 Is Chiral:   True logP:   -2.8519
HBD:   4 HBA:   7 TPSA:   124.78
#Bonds:   23 #Rotatable Bonds:   2 Shape Complexity:   0.5555556
Stereocomplexity:   0.44444445 Ligand Type:   Small Molecule
Binding Affinity
-