Structure of PDB 6yki Chain B Binding Site BS01

Receptor Information
>6yki Chain B (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRS
ARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKMLGGVF
KIDWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFP
PDESIDLYQVIHKM
Ligand information
Ligand IDOUZ
InChIInChI=1S/C15H24N2O/c1-3-16-9-10-17-11-15(18-12-13(17)2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyVKGGANBMWGYYDB-UKRRQHHQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNCCN1CC(OCC1C)c2ccccc2
CACTVS 3.385CCNCCN1C[CH](OC[CH]1C)c2ccccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2
FormulaC15 H24 N2 O
Name~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
ChEMBL
DrugBank
ZINC
PDB chain6yki Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6yki Structure-based design of ligands of the m6A-RNA reader YTHDC1
Resolution1.3 Å
Binding residue
(original residue number in PDB)		S378 W428 P431 M434 L439
Binding residue
(residue number reindexed from 1)		S35 W85 P88 M91 L96
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6yki, PDBe:6yki, PDBj:6yki
PDBsum6yki
PubMed
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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