PDB Entry (6syz)

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Visualizer: MichelaNGLo

PDB ID: 6syz Resolution: 2.28 Å Exp. Method: X-RAY DIFFRACTION
PMID: 32101404 DOI: 10.1021/acschembio.9b00894
Protein
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
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
-