Structure of PDB 8f0w Chain B Binding Site BS01

Receptor Information
>8f0w Chain B (length=119) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFVGLRVVAKWSSNGYFYSGKITRDVGAGKYKLLFDDGYECDVLGKDILL
CDPIPLDTEVTALSEDEYFSAGVVKGHRKESGELYYSIEKEGQRKWYKRM
AVILSLEQGNRLREQYGLG
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)		Y1500 Y1502 Y1552 F1553
Binding residue
(residue number reindexed from 1)		Y16 Y18 Y68 F69
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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