Structure of PDB 7zwq Chain A Binding Site BS02

Receptor Information
>7zwq Chain A (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQGADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKT
VLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLR
EGNIMAVMATAMYLQMEHVVDTCRKFIKASE
Ligand information
Ligand IDK4O
InChIInChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-4-2-3-5-11(10)14/h2-6,8,15H,7H2,1H3
InChIKeyVHJBRIUYFBUFEX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(NCc2ccccc2F)n3ncnc3n1
OpenEye OEToolkits 2.0.7Cc1cc(n2c(n1)ncn2)NCc3ccccc3F
FormulaC13 H12 F N5
Name~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
ChEMBL
DrugBank
ZINCZINC000001368932
PDB chain7zwq Chain A Residue 212 [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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PDB7zwq Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		M103 A104 A107
Binding residue
(residue number reindexed from 1)		M105 A106 A109
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7zwq, PDBe:7zwq, PDBj:7zwq
PDBsum7zwq
PubMed36329085
UniProtP41182|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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