Structure of PDB 8dey Chain C Binding Site BS01

Receptor Information
>8dey Chain C (length=57) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SERPFHCNQCGASFTQKGNLLRHIKLHSGEKPFKCPFCSYACRRRDALTG
HLRTHSV
Ligand information
Ligand IDLWK
InChIInChI=1S/C25H27N3O3/c29-23-9-8-22(24(30)26-23)28-16-20-14-19(6-7-21(20)25(28)31)18-10-12-27(13-11-18)15-17-4-2-1-3-5-17/h1-7,14,18,22H,8-13,15-16H2,(H,26,29,30)/t22-/m0/s1
InChIKeyOMISHRJQMYQPMG-QFIPXVFZSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1CCN(Cc2ccccc2)CC1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2CCC(CC2)c3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O
CACTVS 3.385O=C1CC[CH](N2Cc3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O)N1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2CCC(CC2)c3ccc4c(c3)CN(C4=O)[C@H]5CCC(=O)NC5=O
CACTVS 3.385O=C1CC[C@H](N2Cc3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O)N1
FormulaC25 H27 N3 O3
Name(3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione
ChEMBL
DrugBank
ZINC
PDB chain8dey Chain A Residue 502 [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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PDB8dey Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		H141 C142 N143 Q144
Binding residue
(residue number reindexed from 1)		H6 C7 N8 Q9
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8dey, PDBe:8dey, PDBj:8dey
PDBsum8dey
PubMed36863346
UniProtQ9UKS7|IKZF2_HUMAN Zinc finger protein Helios (Gene Name=IKZF2)

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