PDB Entry (1ruk) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 1ruk | Resolution: 1.4 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 14982995 | DOI: 10.1073/pnas.0307311101 | |
Protein |
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Protein Name: Ig gamma-2A chain C region, membrane-bound form | |
Protein Class: ANTIBODY | |
Uniprot ID/ACC: P01865 (GCAM_MOUSE) | Organism: Mus musculus |
Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
Volume: 571.072 | Depth: 23.5577 |
Hydrophobicity: 0.702128 | Drug Score: 0.096182 |
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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