Structure of PDB 8og7 Chain A Binding Site BS01

Receptor Information
>8og7 Chain A (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
WDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQAMKSPFGSSFRTFNA
TDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEV
Ligand information
Ligand IDVMR
InChIInChI=1S/C16H15ClN2O/c17-13-4-6-14(7-5-13)20-15-3-1-2-11(8-15)12-9-16(18)19-10-12/h1-8,12H,9-10H2,(H2,18,19)/t12-/m0/s1
InChIKeyYHXWMEXRFSXVKK-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1ccc(Oc2cccc(c2)[C@@H]3CNC(=N)C3)cc1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Oc2ccc(cc2)Cl)C3CC(=N)NC3
CACTVS 3.385Clc1ccc(Oc2cccc(c2)[CH]3CNC(=N)C3)cc1
OpenEye OEToolkits 2.0.7[H]/N=C\1/C[C@@H](CN1)c2cccc(c2)Oc3ccc(cc3)Cl
FormulaC16 H15 Cl N2 O
Name(4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine
ChEMBL
DrugBank
ZINC
PDB chain8og7 Chain A Residue 1503 [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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PDB8og7 Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		M1109 L1117 K1118 A1129 S1130
Binding residue
(residue number reindexed from 1)		M30 L38 K39 A50 S51
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:8og7, PDBe:8og7, PDBj:8og7
PDBsum8og7
PubMed37465299
UniProtQ9Y4B6|DCAF1_HUMAN DDB1- and CUL4-associated factor 1 (Gene Name=DCAF1)

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