Structure of PDB 6t0x Chain A Binding Site BS01

Receptor Information
>6t0x Chain A (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 IDM6W
InChIInChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
InChIKeyBVOWXWSHDIGNRE-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)C1CCNC1
CACTVS 3.385CNC(=O)[CH]1CCNC1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNC(=O)[C@H]1CCNC1
FormulaC6 H12 N2 O
Name(3~{S})-~{N}-methylpyrrolidine-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000019686046
PDB chain6t0x Chain A Residue 601 [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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PDB6t0x Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		K361 N367 W377 S378 W428 D476
Binding residue
(residue number reindexed from 1)		K18 N24 W34 S35 W85 D133
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6t0x, PDBe:6t0x, PDBj:6t0x
PDBsum6t0x
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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