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Ligand · 8NR

8NR · Ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl) piperazine-1-carboxylate

8NR, Ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl) piperazine-1-carboxylate (C21 H25 N3 O3, 367.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
8NR
Formula
C21 H25 N3 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

8NR in 1 structure; the first of them:

  • 5XXD · Crystal structure of SMYD3 in complex with covalent inhibitor 1 · 8NR A505 · binds CYS180, ASN181, SER182, PHE183, THR184, CYS186, MET190, ILE214 and 7 more

Residues it binds most

CYS 1, ILE 1, PHE 1, TYR 1, ASN 1, MET 1, SAM 1, SER 1, THR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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