Structure of PDB 8ou6 Chain B Binding Site BS02

Receptor Information
>8ou6 Chain B (length=105) Species: 1430440 (Magnetospirillum gryphiswaldense MSR-1 v2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLR
LIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRL
AEGPA
Ligand information
Ligand IDW26
InChIInChI=1S/C13H15N3O3/c1-7-6-8(14)2-3-9(7)12(18)15-10-4-5-11(17)16-13(10)19/h2-3,6,10H,4-5,14H2,1H3,(H,15,18)(H,16,17,19)/t10-/m0/s1
InChIKeyBUTHFOQUICVORE-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(N)ccc1C(=O)N[C@H]2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7Cc1cc(ccc1C(=O)N[C@H]2CCC(=O)NC2=O)N
CACTVS 3.385Cc1cc(N)ccc1C(=O)N[CH]2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7Cc1cc(ccc1C(=O)NC2CCC(=O)NC2=O)N
FormulaC13 H15 N3 O3
Name4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-methyl-benzamide
ChEMBL
DrugBank
ZINC
PDB chain8ou6 Chain B 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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PDB8ou6 Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		N50 P51 F77 S78 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N32 P33 F59 S60 W61 W67 W81 Y83
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links