PDB Entry (6sz2)

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Visualizer: MichelaNGLo

PDB ID: 6sz2 Resolution: 1.52 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: 802.688 Depth: 22.5743
Hydrophobicity: 0.717391 Drug Score: 0.635508
Pocket Similarity: Calculate
Ligand
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
-