PDB Entry (6t04) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6t04 | 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: 503.424 | Depth: 16.439 |
Hydrophobicity: 0.738806 | Drug Score: 0.5 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-phenyl-4,5-dihydro-1~{H}-imidazole | ||
HET ID: M3H | PubChem: 13639 | |
DrugBank: - | ChEMBL: CHEMBL274548 | |
Canonical SMILES: c1ccc(cc1)C1=NCCN1 | ||
Standard InChI: InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11) | ||
Molecular Formula: C9H10N2 | Mol. Weight: 146.1891 | Heavy Atoms: 11 |
Charge: 0 | Is Chiral: False | logP: 0.8008 |
HBD: 1 | HBA: 2 | TPSA: 24.39 |
#Bonds: 12 | #Rotatable Bonds: 1 | Shape Complexity: 0.22222222 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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