Structure of PDB 6fi0 Chain B Binding Site BS03

Receptor Information
>6fi0 Chain B (length=50) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVTCLVCRKGDNDEFLLLCDGCDRGCHIYCHRPKMEAVPEGDWFCTVCLA
Ligand information
Ligand IDDEW
InChIInChI=1S/C9H12N2OS/c10-5-9(12)11-3-1-8-7(6-11)2-4-13-8/h2,4H,1,3,5-6,10H2
InChIKeyNRRHFNCSXNXKHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1csc2c1CN(CC2)C(=O)CN
CACTVS 3.385NCC(=O)N1CCc2sccc2C1
FormulaC9 H12 N2 O S
Name2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone
ChEMBL
DrugBank
ZINCZINC000021953445
PDB chain6fi0 Chain B Residue 1804 [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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PDB6fi0 Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L1692 L1693 D1695
Binding residue
(residue number reindexed from 1)		L17 L18 D20
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fi0, PDBe:6fi0, PDBj:6fi0
PDBsum6fi0
PubMed29529862
UniProtQ9UIF9|BAZ2A_HUMAN Bromodomain adjacent to zinc finger domain protein 2A (Gene Name=BAZ2A)

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