PDB Entry (2q6u) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 2q6u | Resolution: 1.75 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 17697998 | DOI: 10.1016/j.str.2007.06.010 | |
Protein |
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Protein Name: NikD protein | |
Protein Class: CELL CYCLE | |
Uniprot ID/ACC: Q9X9P9 (Q9X9P9_STRTE) | Organism: Streptomyces tendae |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 2014.08 | Depth: 34.6272 |
Hydrophobicity: 0.689815 | Drug Score: 0.999507 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: BENZOIC ACID | ||
HET ID: BEZ | PubChem: 20144841243 | |
DrugBank: DB03793 | ChEMBL: CHEMBL541 | |
Canonical SMILES: OC(=O)c1ccccc1 | ||
Standard InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) | ||
Molecular Formula: C7H6O2 | Mol. Weight: 122.12134 | Heavy Atoms: 9 |
Charge: 0 | Is Chiral: False | logP: 1.3848 |
HBD: 1 | HBA: 2 | TPSA: 37.3 |
#Bonds: 9 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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