Structure of PDB 6tog Chain A Binding Site BS02

Receptor Information
>6tog Chain A (length=124) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSG
LFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAV
MATAMYLQMEHVVDTCRKFIKASE
Ligand information
Ligand IDNQH
InChIInChI=1S/C10H10ClN3/c11-10-8(5-12)9(3-4-13-10)14-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14)
InChIKeyNLBNRXHKCJFZBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc(c(c1NCC2CC2)C#N)Cl
CACTVS 3.385Clc1nccc(NCC2CC2)c1C#N
FormulaC10 H10 Cl N3
Name2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
ChEMBLCHEMBL4464160
DrugBank
ZINC
PDB chain6tog Chain A Residue 201 [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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PDB6tog AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		M51 A52 C53 S54 G55 Y58
Binding residue
(residue number reindexed from 1)		M46 A47 C48 S49 G50 Y53
Annotation score1
Binding affinityMOAD: ic50=207uM
BindingDB: IC50=207000nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6tog, PDBe:6tog, PDBj:6tog
PDBsum6tog
PubMed32275432
UniProtP41182|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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