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BioLiP

Structure of PDB 8zli Chain A Binding Site BS01

Receptor Information
>8zli Chain A (length=55) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGF
VKKDQ
Ligand information
Ligand IDA1L13
InChIInChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3
InChIKeyOEOPVJYUCSQVMJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)c1ccc(cc1)c2sc3cc(C)ccc3n2
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)sc(n2)c3ccc(cc3)N(C)C
FormulaC16 H16 N2 S
Name~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
ChEMBL
DrugBank
ZINC
PDB chain8zli Chain A Residue 101 [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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PDB8zli Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		H50 G51
Binding residue
(residue number reindexed from 1)		H6 G7
Annotation score1
External links
PDB RCSB:8zli, PDBe:8zli, PDBj:8zli
PDBsum8zli
PubMed39172784
UniProtP37840|SYUA_HUMAN Alpha-synuclein (Gene Name=SNCA)

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