GL1X · GenesisL1 explorer

Ligand · 78J

78J · (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one

78J, (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one (C21 H30 N4 O2, 370.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
78J
Formula
C21 H30 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

78J in 4 structures; the first of them:

  • 5A81 · Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R)… · 78J A2111 · binds VAL1008, VAL1013, VAL1018, TYR1021, ALA1060, TYR1063, ASN1064, ASP1068 and 5 more
  • 5A85 · N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-ylami… · 78J A1169 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 6 more
  • 5A81 · Crystal structure of human ATAD2 bromodomain in complex with… · 78J A2111 · binds VAL1008, VAL1013, VAL1018, TYR1021, ALA1060, TYR1063, ASN1064, ASP1068 and 5 more
  • 5A85 · N-terminal bromodomain of human BRD4 with 8-(3R,4R)-3… · 78J A1169 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136 and 6 more

Residues it binds most

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

Found with

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

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