Structure of PDB 6szy Chain B Binding Site BS01

Receptor Information
>6szy Chain B (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRS
ARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKMLGGVF
KIDWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFP
PDESIDLYQVIHKM
Ligand information
Ligand IDM5N
InChIInChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyHEXVASBLYUHGSF-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)C1=NC(=O)N=C2C1CCCC2
CACTVS 3.385CC(C)C1=NC(=O)N=C2CCCC[C@H]12
CACTVS 3.385CC(C)C1=NC(=O)N=C2CCCC[CH]12
FormulaC11 H16 N2 O
Name4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one
ChEMBL
DrugBank
ZINC
PDB chain6szy Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6szy Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		N367 W377 S378 T379 L380 W428 P431 L439 D476
Binding residue
(residue number reindexed from 1)		N24 W34 S35 T36 L37 W85 P88 L96 D133
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6szy, PDBe:6szy, PDBj:6szy
PDBsum6szy
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

[Back to BioLiP]