Structure of PDB 6t07 Chain B Binding Site BS01

Receptor Information
>6t07 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 IDM45
InChIInChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1
InChIKeyWNMXGGSUOUEZIK-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc([nH]n1)N[C@H]2CCCN2
CACTVS 3.385C1CN[CH](C1)Nc2[nH]ncn2
CACTVS 3.385C1CN[C@H](C1)Nc2[nH]ncn2
OpenEye OEToolkits 2.0.7c1nc([nH]n1)NC2CCCN2
FormulaC6 H11 N5
Name~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
ChEMBL
DrugBank
ZINC
PDB chain6t07 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

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PDB6t07 Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N367 W377 S378 T379 L380 W428 L439 D476
Binding residue
(residue number reindexed from 1)		N24 W34 S35 T36 L37 W85 L96 D133
Annotation score1
Binding affinityMOAD: ic50>1000uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6t07, PDBe:6t07, PDBj:6t07
PDBsum6t07
PubMed32101404
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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