Structure of PDB 8oga Chain P Binding Site BS01

Receptor Information
>8oga Chain P (length=300) 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
WDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQAKSPFGSSFRTFNAT
DYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG
Ligand information
Ligand IDVLW
InChIInChI=1S/C26H30N4O/c1-28-13-15-29(16-14-28)21-5-8-23-19(17-21)18-24(30-12-11-27-25(23)30)26(9-10-26)20-3-6-22(31-2)7-4-20/h3-8,17-18H,9-16H2,1-2H3
InChIKeyPAHRGUYMKQCNRV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CCN(CC1)c2ccc3c(c2)C=C(N4C3=NCC4)C5(CC5)c6ccc(cc6)OC
CACTVS 3.385COc1ccc(cc1)C2(CC2)C3=Cc4cc(ccc4C5=NCCN35)N6CCN(C)CC6
FormulaC26 H30 N4 O
Name5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline
ChEMBL
DrugBank
ZINC
PDB chain8oga Chain P Residue 1406 [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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PDB8oga Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Resolution2.2 Å
Binding residue
(original residue number in PDB)
T1097 A1137 T1139 R1225 R1298 K1327 P1329 F1355
Binding residue
(residue number reindexed from 1)
T18 A58 T60 R146 R219 K237 P239 F265
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:8oga, PDBe:8oga, PDBj:8oga
PDBsum8oga
PubMed37465299
UniProtQ9Y4B6|DCAF1_HUMAN DDB1- and CUL4-associated factor 1 (Gene Name=DCAF1)

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