PDB Entry (6syz) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6syz | Resolution: 2.28 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: 245.504 | Depth: 8.7818 |
Hydrophobicity: 0.707317 | Drug Score: 0.475469 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: ~{N}-methylthieno[3,2-d]pyrimidin-4-amine | ||
HET ID: M1E | PubChem: 23273491 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CNc1ncnc2c1scc2 | ||
Standard InChI: InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10) | ||
Molecular Formula: C7H7N3S | Mol. Weight: 165.21558 | Heavy Atoms: 11 |
Charge: 0 | Is Chiral: False | logP: 1.806 |
HBD: 1 | HBA: 4 | TPSA: 66.05 |
#Bonds: 12 | #Rotatable Bonds: 1 | Shape Complexity: 0.14285715 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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