PDB Entry (6yke) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6yke | Resolution: 1.52 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: None | |
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: 610.176 | Depth: 17.4356 |
Hydrophobicity: 0.721805 | Drug Score: 0.658309 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine | ||
HET ID: OUQ | PubChem: 93236558 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: Fc1cccc(c1)[C@@H]1CNC(CO1)(C)C | ||
Standard InChI: InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1 | ||
Molecular Formula: C12H16FNO | Mol. Weight: 209.25995 | Heavy Atoms: 15 |
Charge: 0 | Is Chiral: True | logP: 2.594 |
HBD: 1 | HBA: 2 | TPSA: 21.26 |
#Bonds: 17 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
Stereocomplexity: 0.083333336 | Ligand Type: Small Molecule |
Binding Affinity |
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