Structure of PDB 8og6 Chain A Binding Site BS01

Receptor Information
>8og6 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 IDLQH
InChIInChI=1S/C17H13FN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2
InChIKeyCRASKXTVWBAFRS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F
CACTVS 3.385Fc1ccccc1C2=Cc3ccccc3C4=NCCN24
FormulaC17 H13 F N2
Name5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
ChEMBLCHEMBL310238
DrugBank
ZINCZINC000013740204
PDB chain8og6 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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PDB8og6 Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Resolution2.245 Å
Binding residue
(original residue number in PDB)		T1097 C1098 T1139 Y1181 R1225 C1227 R1298 P1329 F1355 D1356
Binding residue
(residue number reindexed from 1)		T18 C19 T60 Y102 R146 C148 R219 P240 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:8og6, PDBe:8og6, PDBj:8og6
PDBsum8og6
PubMed37465299
UniProtQ9Y4B6|DCAF1_HUMAN DDB1- and CUL4-associated factor 1 (Gene Name=DCAF1)

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