Structure of PDB 7lzr Chain D Binding Site BS01

Receptor Information
>7lzr Chain D (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 IDYJJ
InChIInChI=1S/C26H24ClN7O4/c1-15-7-16(8-17(10-28)24(15)36)18-12-34(25-23(18)26(37)32(2)14-30-25)13-22(35)31-20-9-21(29-11-19(20)27)33-3-5-38-6-4-33/h7-9,11-12,14,36H,3-6,13H2,1-2H3,(H,29,31,35)
InChIKeyWWIDJSKICASXQS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5
CACTVS 3.385CN1C=Nc2n(CC(=O)Nc3cc(ncc3Cl)N4CCOCC4)cc(c5cc(C)c(O)c(c5)C#N)c2C1=O
ACDLabs 12.01N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(C)C(=O)c12
FormulaC26 H24 Cl N7 O4
NameN-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
ChEMBL
DrugBank
ZINC
PDB chain7lzr Chain C Residue 203 [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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PDB7lzr Crystal structure of the BCL6 BTB domain in complex with OICR-10256
Resolution1.34 Å
Binding residue
(original residue number in PDB)		H14 N21 R24 L25
Binding residue
(residue number reindexed from 1)		H8 N15 R18 L19
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7lzr, PDBe:7lzr, PDBj:7lzr
PDBsum7lzr
PubMed
UniProtP41182|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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