Structure of PDB 6t0z Chain A Binding Site BS01

Receptor Information
>6t0z Chain A (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 IDM75
InChIInChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)
InChIKeyJRINQCODSFQXLT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(nc[nH]1)S(=O)(=O)NC2CC2
CACTVS 3.385O=[S](=O)(NC1CC1)c2c[nH]cn2
FormulaC6 H9 N3 O2 S
Name~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide
ChEMBL
DrugBank
ZINCZINC000068591950
PDB chain6t0z Chain A 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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PDB6t0z Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		K361 N367 S378 T379 L380 W428 M434 L439 D476
Binding residue
(residue number reindexed from 1)		K18 N24 S35 T36 L37 W85 M91 L96 D133
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6t0z, PDBe:6t0z, PDBj:6t0z
PDBsum6t0z
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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