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Receptor Information

>7ps9 Chain C (length=90) Species: 55518 (Magnetospirillum gryphiswaldense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GASIFRCRQCGQTISRRDWLLHVVFNPARVWCFSLAQGLRLIGAPSGEFS
WFKGYDWTIALCGQCGSHLGWHYETFFGLIKDRLAEGPAD

Ligand ID

8W7

InChI

InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1

InChIKey

IXZOHGPZAQLIBH-NRFANRHFSA-N

SMILES

Software	SMILES
ACDLabs 12.01	c1cc(c2c(c1)C(N(C2)C3C(NC(CC3)=O)=O)=O)OCc5ccc(CN4CCOCC4)cc5
OpenEye OEToolkits 2.0.6	c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)C5CCC(=O)NC5=O
CACTVS 3.385	O=C1CC[CH](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
OpenEye OEToolkits 2.0.6	c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O
CACTVS 3.385	O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1

Formula

C25 H27 N3 O5

Name

(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione

PDB chain

7ps9 Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7ps9 High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	P51 E76 F77 S78 W79 W85 W99 Y101
Binding residue (residue number reindexed from 1)	P27 E48 F49 S50 W51 W57 W71 Y73
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:7ps9, PDBe:7ps9, PDBj:7ps9
PDBsum	7ps9
PubMed	35234143
UniProt	A4TVL0

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Structure of PDB 7ps9 Chain C Binding Site BS02