PDB Entry (6yke)

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Visualizer: MichelaNGLo

PDB ID: 6yke Resolution: 1.52 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
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: 610.176 Depth: 17.4356
Hydrophobicity: 0.721805 Drug Score: 0.658309
Pocket Similarity: Calculate
Ligand
Ligand Name:   (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
HET ID:   OUQ PubChem:   93236558
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Fc1cccc(c1)[C@@H]1CNC(CO1)(C)C
Standard InChI:   InChI=1S/C12H16FNO/c1-12(2)8-15-11(7-14-12)9-4-3-5-10(13)6-9/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1
Molecular Formula:   C12H16FNO Mol. Weight:   209.25995 Heavy Atoms:   15
Charge:   0 Is Chiral:   True logP:   2.594
HBD:   1 HBA:   2 TPSA:   21.26
#Bonds:   17 #Rotatable Bonds:   1 Shape Complexity:   0.5
Stereocomplexity:   0.083333336 Ligand Type:   Small Molecule
Binding Affinity
-