Structure of PDB 8rdq Chain A Binding Site BS02

Receptor Information
>8rdq Chain A (length=100) Species: 55518 (Magnetospirillum gryphiswaldense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIFRCRQCGQTISRRDWLLPDHEHVVFNPAGMIFRVWCFSLAQGLRLIGA
PSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGP
Ligand information
Ligand IDYQO
InChIInChI=1S/C13H10Cl2N2O3/c14-7-1-2-8(9(15)5-7)10-6-13(20-17-10)4-3-11(18)16-12(13)19/h1-2,5H,3-4,6H2,(H,16,18,19)/t13-/m0/s1
InChIKeyKFAVXUHSPFYSLI-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cl)Cl)C2=NOC3(C2)CCC(=O)NC3=O
CACTVS 3.385Clc1ccc(c(Cl)c1)C2=NO[C]3(CCC(=O)NC3=O)C2
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cl)Cl)C2=NO[C@]3(C2)CCC(=O)NC3=O
CACTVS 3.385Clc1ccc(c(Cl)c1)C2=NO[C@@]3(CCC(=O)NC3=O)C2
FormulaC13 H10 Cl2 N2 O3
Name(5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione
ChEMBL
DrugBank
ZINC
PDB chain8rdq Chain A Residue 202 [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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PDB8rdq Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		N50 P51 F77 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N28 P29 F55 W57 W63 W77 Y79
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8rdq, PDBe:8rdq, PDBj:8rdq
PDBsum8rdq
PubMed38552426
UniProtA4TVL0

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