PDB Entry (6sz2) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6sz2 | Resolution: 1.52 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: 802.688 | Depth: 22.5743 |
Hydrophobicity: 0.717391 | Drug Score: 0.635508 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: ~{N}-methyl-1,6-naphthyridin-4-amine | ||
HET ID: M0Q | PubChem: 73994806 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CNc1ccnc2c1cncc2 | ||
Standard InChI: InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12) | ||
Molecular Formula: C9H9N3 | Mol. Weight: 159.18787 | Heavy Atoms: 12 |
Charge: 0 | Is Chiral: False | logP: 1.7445 |
HBD: 1 | HBA: 3 | TPSA: 37.81 |
#Bonds: 13 | #Rotatable Bonds: 1 | Shape Complexity: 0.11111111 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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