Structure of PDB 8og8 Chain A Binding Site BS01

Receptor Information
>8og8 Chain A (length=301) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEA
SYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTED
HYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCAT
FNPTDDLVLNDGVLWDVRSALAIHKFDKFNMNISGVFHPNGLEVIINTEI
WDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQAMKSPFGSSFRTFNA
TDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEV
G
Ligand information
Ligand IDVM8
InChIInChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3
InChIKeyXLRFROIINIWWJO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(Cc1ccccc1)c2cc3ccccc3c4n2ccn4
CACTVS 3.385CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24
FormulaC21 H20 N2
Name5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline
ChEMBL
DrugBank
ZINC
PDB chain8og8 Chain A Residue 1501 [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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PDB8og8 Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		T1097 C1098 T1139 R1298 L1313 M1326 F1355 D1356
Binding residue
(residue number reindexed from 1)		T18 C19 T60 R219 L234 M237 F266 D267
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Biological Process
GO:0016567 protein ubiquitination

View graph for
Biological Process
External links
PDB RCSB:8og8, PDBe:8og8, PDBj:8og8
PDBsum8og8
PubMed37465299
UniProtQ9Y4B6|DCAF1_HUMAN DDB1- and CUL4-associated factor 1 (Gene Name=DCAF1)

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