Structure of PDB 8oua Chain B Binding Site BS02

Receptor Information
>8oua Chain B (length=105) Species: 55518 (Magnetospirillum gryphiswaldense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLR
LIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRL
AEGPA
Ligand information
Ligand IDW0Z
InChIInChI=1S/C13H13F2N3O4/c1-22-11-9(15)5(4-6(14)10(11)16)12(20)17-7-2-3-8(19)18-13(7)21/h4,7H,2-3,16H2,1H3,(H,17,20)(H,18,19,21)/t7-/m0/s1
InChIKeyAJJIOMGESOLWQL-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1c(N)c(F)cc(C(=O)N[C@H]2CCC(=O)NC2=O)c1F
OpenEye OEToolkits 2.0.7COc1c(c(cc(c1F)C(=O)N[C@H]2CCC(=O)NC2=O)F)N
OpenEye OEToolkits 2.0.7COc1c(c(cc(c1F)C(=O)NC2CCC(=O)NC2=O)F)N
CACTVS 3.385COc1c(N)c(F)cc(C(=O)N[CH]2CCC(=O)NC2=O)c1F
FormulaC13 H13 F2 N3 O4
Name4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide
ChEMBL
DrugBank
ZINC
PDB chain8oua 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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PDB8oua Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N50 F77 S78 W79 W85 W99 Y101
Binding residue
(residue number reindexed from 1)		N32 F59 S60 W61 W67 W81 Y83
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links