PDB Entry (6t05) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6t05 | Resolution: 1.5 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 32101404 | DOI: 10.1021/acschembio.9b00894 | |
Protein |
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Protein Name: YTH domain-containing protein 1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q96MU7 (YTDC1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: YTHDC1 | Gene ID: 91746 |
Pocket Descriptors | |
Volume: 536.384 | Depth: 17.088 |
Hydrophobicity: 0.742647 | Drug Score: 0.588769 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-(phenylmethyl)imidazolidine | ||
HET ID: M6H | PubChem: 54051513 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: C1CNC(N1)Cc1ccccc1 | ||
Standard InChI: InChI=1S/C10H14N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10-12H,6-8H2 | ||
Molecular Formula: C10H14N2 | Mol. Weight: 162.23157 | Heavy Atoms: 12 |
Charge: 0 | Is Chiral: False | logP: 1.4056 |
HBD: 2 | HBA: 2 | TPSA: 24.06 |
#Bonds: 13 | #Rotatable Bonds: 2 | Shape Complexity: 0.4 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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