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Ligand · NP8

NP8 · 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one

NP8, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one (C20 H23 N5 O2, 365.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
NP8
Formula
C20 H23 N5 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

NP8 in 4 structures; the first of them:

  • 5A5R · Crystal structure of human ATAD2 bromodomain in complex with 5-5… · NP8 A2111 · binds VAL1008, VAL1013, ASP1014, GLU1017, VAL1018, TYR1021, ALA1060, TYR1063 and 5 more
  • 5A5S · NN-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-5-methoxypyridin-3-yl-3… · NP8 A1170 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 5 more
  • 5A5R · Crystal structure of human ATAD2 bromodomain in complex with… · NP8 A2111 · binds VAL1008, VAL1013, ASP1014, GLU1017, VAL1018, TYR1021, ALA1060, TYR1063 and 5 more
  • 5A5S · Nn-terminal bromodomain of human BRD4 with 5-5… · NP8 A1170 · binds TRP81, PRO82, PHE83, GLN85, VAL87, LEU92, LEU94, TYR97 and 5 more

Residues it binds most

ASP 4, TYR 4, VAL 4, ASN 4, ILE 4, LEU 2, ALA 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion

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