Structure of PDB 8oo5 Chain P Binding Site BS02

Receptor Information
>8oo5 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 IDVUF
InChIInChI=1S/C28H35ClN6O/c1-20(36)34-15-17-35(18-16-34)23-9-10-24-25(19-23)32-27(33-26(24)31-14-13-30)28(11-3-2-4-12-28)21-5-7-22(29)8-6-21/h5-10,19H,2-4,11-18,30H2,1H3,(H,31,32,33)
InChIKeyGGEKTDCCHNVLNE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCCC4)c5ccc(cc5)Cl
CACTVS 3.385CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCCC4)c5ccc(Cl)cc5
FormulaC28 H35 Cl N6 O
Name1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone
ChEMBL
DrugBank
ZINC
PDB chain8oo5 Chain P Residue 1402 [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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PDB8oo5 Reinstating targeted protein degradation with DCAF1 PROTACs in CRBN PROTAC resistant settings
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R1104 F1107 L1117 E1128 A1129 M1166 S1168
Binding residue
(residue number reindexed from 1)		R25 F28 L38 E49 A50 M87 S89
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:8oo5, PDBe:8oo5, PDBj:8oo5
PDBsum8oo5
PubMed
UniProtQ9Y4B6|DCAF1_HUMAN DDB1- and CUL4-associated factor 1 (Gene Name=DCAF1)

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