Structure of PDB 6t06 Chain B Binding Site BS01

Receptor Information
>6t06 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 IDM5H
InChIInChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)
InChIKeyUPWGIYRWPULZDG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c([nH]n2)C3NCCN3
CACTVS 3.385C1CNC(N1)c2[nH]nc3ccccc23
FormulaC10 H12 N4
Name3-imidazolidin-2-yl-2~{H}-indazole
ChEMBL
DrugBank
ZINC
PDB chain6t06 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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PDB6t06 Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N367 W377 S378 W428 M434 L439
Binding residue
(residue number reindexed from 1)		N24 W34 S35 W85 M91 L96
Annotation score1
Binding affinityMOAD: ic50=2010uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6t06, PDBe:6t06, PDBj:6t06
PDBsum6t06
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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