Structure of PDB 7qkn Chain B Binding Site BS01

Receptor Information
>7qkn Chain B (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHPVLEKLKAAHSYNPKEFEWNLKSGRVFIIKSYSEDDIHRSIKYSIWCS
TEHGNKRLDSAFRCMSSKGPVYLLFSVNGSGHFCGVAEMKSPVDYGTSAG
VWDKWKGKFDVQWIFVKDVPNNQLRHIRLENNDNKPVTNSRDTQEVPLEK
AKQVLKIISSYKHTTSIFDDFAHYEKRQAVVEVVRKERQSRNK
Ligand information
Ligand IDJVF
InChIInChI=1S/C13H20N2OS/c1-3-15(4-2)10-9-14-13(16)11-7-5-6-8-12(11)17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKeyMFTVFFIYFANPCV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCN(CC)CCNC(=O)c1ccccc1S
FormulaC13 H20 N2 O S
Name~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide
ChEMBL
DrugBank
ZINC
PDB chain7qkn 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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PDB7qkn Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D401 R404 C412 W465
Binding residue
(residue number reindexed from 1)		D38 R41 C49 W102
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7qkn, PDBe:7qkn, PDBj:7qkn
PDBsum7qkn
PubMed36268123
UniProtQ9BYJ9|YTHD1_HUMAN YTH domain-containing family protein 1 (Gene Name=YTHDF1)

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