Structure of PDB 8f0w Chain A Binding Site BS01

Receptor Information
>8f0w 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]
SFVGLRVVAKWSSNGYFYSGKITRDVGAGKYKLLFDDGYECDVLGKDILL
CDPIPLDTEVTALSEDEYFSAGVVKGHRKESGELYYSIEKEGQRKWYKRM
AVILSLEQGNRLREQYGLGPYE
Ligand information
Ligand IDX9N
InChIInChI=1S/C16H23FN2O/c1-3-5-16(20)13-6-7-15(14(17)12-13)19-10-8-18(4-2)9-11-19/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyIYDDEPAMENQFDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CCN1CCN(CC1)c1ccc(cc1F)C(=O)CCC
OpenEye OEToolkits 2.0.7CCCC(=O)c1ccc(c(c1)F)N2CCN(CC2)CC
CACTVS 3.385CCCC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1
FormulaC16 H23 F N2 O
Name1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one
ChEMBL
DrugBank
ZINCZINC000004168691
PDB chain8f0w Chain A Residue 1701 [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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PDB8f0w Tudor Domain of Tumor suppressor p53BP1 with MFP-5956
Resolution1.52 Å
Binding residue
(original residue number in PDB)		W1495 Y1502 F1519 D1521 Y1523
Binding residue
(residue number reindexed from 1)		W11 Y18 F35 D37 Y39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8f0w, PDBe:8f0w, PDBj:8f0w
PDBsum8f0w
PubMed
UniProtQ12888|TP53B_HUMAN TP53-binding protein 1 (Gene Name=TP53BP1)

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