PDB Entry (6upt)

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Visualizer: MichelaNGLo

PDB ID: 6upt Resolution: 1.96 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
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
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
-