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BioLiP

Structure of PDB 9cuo Chain B Binding Site BS01

Receptor Information
>9cuo Chain B (length=92) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTSLCCKQCQETEITTKNEIFSLSHETLTVYKACNLNLIGRPSTEHSWFP
GYAWTVAQCKICASHIGWKFTATKKDMSPQKFWGLTRSALLP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain9cuo Chain B Residue 501 [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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PDB9cuo Discovery of KT-474─a Potent, Selective, and Orally Bioavailable IRAK4 Degrader for the Treatment of Autoimmune Diseases.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C323 C326 C391 C394
Binding residue
(residue number reindexed from 1)		C6 C9 C59 C62
Annotation score4
External links
PDB RCSB:9cuo, PDBe:9cuo, PDBj:9cuo
PDBsum9cuo
PubMed39151120
UniProtQ96SW2|CRBN_HUMAN Protein cereblon (Gene Name=CRBN)

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