Structure of PDB 6fi1 Chain A Binding Site BS03

Receptor Information
>6fi1 Chain A (length=57) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSIMKVYCQICRKGDNEELLLLCDGCDKGCHTYCHRPKITTIPDGDWFCP
ACIAKAS
Ligand information
Ligand IDD3H
InChIInChI=1S/C8H11N3O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5,9-10H2,(H,11,12)
InChIKeyDKCWGVIARWBMDV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1N)NC(=O)CN
CACTVS 3.385NCC(=O)Nc1ccc(N)cc1
FormulaC8 H11 N3 O
Name~{N}-(4-aminophenyl)-2-azanyl-ethanamide
ChEMBL
DrugBank
ZINC
PDB chain6fi1 Chain A Residue 2003 [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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PDB6fi1 Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E1944 L1948 D1950 I1968
Binding residue
(residue number reindexed from 1)		E18 L22 D24 I42
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.15,Kd=7.1mM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fi1, PDBe:6fi1, PDBj:6fi1
PDBsum6fi1
PubMed29529862
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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