Structure of PDB 3lbz Chain A Binding Site BS01

Receptor Information
>3lbz Chain A (length=122) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGL
FYSIFTDQLKRNLSVINLDPEINPEGFNILLDFMYTSRLNLREGNIMAVM
ATAMYLQMEHVVDTCRKFIKAS
Ligand information
Ligand IDZ88
InChIInChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKeyGUSSBUVTIMQOBB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)NS(=O)(=O)c1ccc(cc1)Br
CACTVS 3.352CC(=O)N[S](=O)(=O)c1ccc(Br)cc1
FormulaC8 H8 Br N O3 S
NameN-[(4-bromophenyl)sulfonyl]acetamide
ChEMBL
DrugBank
ZINCZINC000000242755
PDB chain3lbz Chain A Residue 200 [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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PDB3lbz A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I9 Q10
Binding residue
(residue number reindexed from 1)		I3 Q4
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3lbz, PDBe:3lbz, PDBj:3lbz
PDBsum3lbz
PubMed20385364
UniProtP41182|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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