PDB Entry (1uej) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 1uej | Resolution: 2.61 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 15130468 | DOI: 10.1016/j.str.2004.02.038 | |
Protein |
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Protein Name: Uridine-cytidine kinase 2 | |
Protein Class: TRANSFERASE | |
Uniprot ID/ACC: Q9BZX2 (UCK2_HUMAN) | Organism: Homo sapiens |
Gene Symbol: UCK2 | Gene ID: 7371 |
Pocket Descriptors | |
Volume: 964.288 | Depth: 26.8278 |
Hydrophobicity: 0.669065 | Drug Score: 0.512798 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE | ||
HET ID: CTN | PubChem: 6175 | |
DrugBank: DB02097 | ChEMBL: CHEMBL95606 | |
Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N | ||
Standard InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 | ||
Molecular Formula: C9H13N3O5 | Mol. Weight: 243.21661 | Heavy Atoms: 17 |
Charge: 0 | Is Chiral: True | logP: -1.9818 |
HBD: 4 | HBA: 8 | TPSA: 130.83 |
#Bonds: 22 | #Rotatable Bonds: 2 | Shape Complexity: 0.5555556 |
Stereocomplexity: 0.44444445 | Ligand Type: Small Molecule |
Binding Affinity |
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