Structure of PDB 7rv0 Chain A Binding Site BS01

Receptor Information
>7rv0 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 ID7RL
InChIInChI=1S/C20H16ClFN6O2/c21-14-10-23-7-5-16(14)25-17(29)11-28-8-6-13-18(28)26-20(27-19(13)30)24-9-12-3-1-2-4-15(12)22/h1-8,10H,9,11H2,(H,23,25,29)(H2,24,26,27,30)
InChIKeyHFBOQBMPCXGSLC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccccc1CNC2=Nc3n(CC(=O)Nc4ccncc4Cl)ccc3C(=O)N2
ACDLabs 12.01Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CNC2=Nc3c(ccn3CC(=O)Nc4ccncc4Cl)C(=O)N2)F
FormulaC20 H16 Cl F N6 O2
NameN-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
ChEMBL
DrugBank
ZINC
PDB chain7rv0 Chain A 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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PDB7rv0 Crystal structure of the BCL6 BTB domain in complex with OICR-8446
Resolution1.45 Å
Binding residue
(original residue number in PDB)		M51 A52 C53 S54 G55 Y58 Q113 M114 E115
Binding residue
(residue number reindexed from 1)		M45 A46 C47 S48 G49 Y52 Q107 M108 E109
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7rv0, PDBe:7rv0, PDBj:7rv0
PDBsum7rv0
PubMed
UniProtP41182|BCL6_HUMAN B-cell lymphoma 6 protein (Gene Name=BCL6)

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