Structure of PDB 7pj9 Chain A Binding Site BS01

Receptor Information
>7pj9 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 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 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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PDB7pj9 Structure-based design of ligands of the m6A-RNA reader YTHDC1
Resolution1.72 Å
Binding residue
(original residue number in PDB)		W377 S378 L380 W428 P431 M438
Binding residue
(residue number reindexed from 1)		W34 S35 L37 W85 P88 M95
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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