Structure of PDB 7lzr Chain A Binding Site BS01

Receptor Information

>7lzr Chain A (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DSQIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSG
LFYSIFTDQLKRNLSVINLDPEINPEGFNILLDFMYTSRLNLREGNIMAV
MATAMYLQMEHVVDTCRKFIKAS

Ligand information

Ligand ID

YJJ

InChI

InChI=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)

InChIKey

WWIDJSKICASXQS-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5
CACTVS 3.385	CN1C=Nc2n(CC(=O)Nc3cc(ncc3Cl)N4CCOCC4)cc(c5cc(C)c(O)c(c5)C#N)c2C1=O
ACDLabs 12.01	N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(C)C(=O)c12

Formula

C26 H24 Cl N7 O4

Name

N-[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 chain

7lzr Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7lzr Crystal structure of the BCL6 BTB domain in complex with OICR-10256
Resolution	1.34 Å
Binding residue (original residue number in PDB)	M51 A52 C53 S54 G55 Y58 Q113 M114 E115 H116 V117
Binding residue (residue number reindexed from 1)	M46 A47 C48 S49 G50 Y53 Q108 M109 E110 H111 V112
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7lzr, PDBe:7lzr, PDBj:7lzr
PDBsum	7lzr
PubMed
UniProt	P41182\|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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