Structure of PDB 7pj9 Chain B Binding Site BS01

Receptor Information
>7pj9 Chain B (length=160) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRS
ARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLSAKMLGGVFKIDW
ICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFPPDES
IDLYQVIHKM
Ligand information
Ligand ID7RI
InChIInChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyLZKFBFNVDKRHMH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1c2cc(ccc2[nH]n1)Br
CACTVS 3.385CNC(=O)c1n[nH]c2ccc(Br)cc12
FormulaC9 H8 Br N3 O
Name5-bromanyl-N-methyl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, 5-bromo-N-methyl-
ChEMBL
DrugBank
ZINC
PDB chain7pj9 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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PDB7pj9 Structure-based design of ligands of the m6A-RNA reader YTHDC1
Resolution1.72 Å
Binding residue
(original residue number in PDB)		W377 S378 W428 D476
Binding residue
(residue number reindexed from 1)		W34 S35 W85 D129
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:7pj9, PDBe:7pj9, PDBj:7pj9
PDBsum7pj9
PubMed
UniProtQ96MU7|YTDC1_HUMAN YTH domain-containing protein 1 (Gene Name=YTHDC1)

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