Structure of PDB 7lzr Chain C Binding Site BS03

Receptor Information
>7lzr Chain C (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 D 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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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 R28
Binding residue
(residue number reindexed from 1)		H8 N15 R18 L19 R22
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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