Structure of PDB 6t02 Chain B Binding Site BS01

Receptor Information
>6t02 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 IDM5E
InChIInChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1
InChIKeyYPMHBZQROFTOSU-QWRGUYRKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(C2CCCN2)O
CACTVS 3.385O[CH]([CH]1CCCN1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O
CACTVS 3.385O[C@H]([C@@H]1CCCN1)c2ccccc2
FormulaC11 H15 N O
Name(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
ChEMBL
DrugBank
ZINCZINC000032007013
PDB chain6t02 Chain B Residue 601 [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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PDB6t02 Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		W377 S378 T379 L380 W428 M434
Binding residue
(residue number reindexed from 1)		W34 S35 T36 L37 W85 M91
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6t02, PDBe:6t02, PDBj:6t02
PDBsum6t02
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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