PDB Entry (6t03) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6t03 | 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: 367.232 | Depth: 9.60833 |
Hydrophobicity: 0.708861 | Drug Score: 0.789646 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 1,3-dihydroimidazole-2-thione | ||
HET ID: MZY | PubChem: 1201386 | |
DrugBank: - | ChEMBL: CHEMBL3260774 | |
Canonical SMILES: S=c1[nH]cc[nH]1 | ||
Standard InChI: InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6) | ||
Molecular Formula: C3H4N2S | Mol. Weight: 100.14226 | Heavy Atoms: 6 |
Charge: 0 | Is Chiral: False | logP: 1.0723 |
HBD: 2 | HBA: 1 | TPSA: 63.67 |
#Bonds: 8 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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