PDB Entry (6upt) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6upt | Resolution: 1.96 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
Protein |
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Protein Name: TP53-binding protein 1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q12888 (TP53B_HUMAN) | Organism: Homo sapiens |
Gene Symbol: TP53BP1 | Gene ID: 7158 |
Pocket Descriptors | |
Volume: 532.032 | Depth: 21.7403 |
Hydrophobicity: 0.742331 | Drug Score: 0.0778809 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole | ||
HET ID: QFM | PubChem: 2806596 | |
DrugBank: - | ChEMBL: CHEMBL1621172 | |
Canonical SMILES: Clc1ccccc1CSC1=NCCN1 | ||
Standard InChI: InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13) | ||
Molecular Formula: C10H11ClN2S | Mol. Weight: 226.72574 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: False | logP: 2.2968 |
HBD: 1 | HBA: 3 | TPSA: 49.69 |
#Bonds: 15 | #Rotatable Bonds: 3 | Shape Complexity: 0.3 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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