Structure of PDB 6t0c Chain B Binding Site BS01

Receptor Information
>6t0c Chain B (length=162) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRS
ARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKGGVFKI
DWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFPPD
ESIDLYQVIHKM
Ligand information
Ligand IDM4E
InChIInChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12)
InChIKeyWZVBKCJHULLMHK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNC(=O)c1n[nH]c2ccccc12
OpenEye OEToolkits 2.0.7CNC(=O)c1c2ccccc2[nH]n1
FormulaC9 H9 N3 O
Name~{N}-methyl-2~{H}-indazole-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000012235230
PDB chain6t0c 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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PDB6t0c Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		W377 S378 W428 D476
Binding residue
(residue number reindexed from 1)		W34 S35 W85 D131
Annotation score1
Binding affinityMOAD: Kd=22uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6t0c, PDBe:6t0c, PDBj:6t0c
PDBsum6t0c
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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