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Ligand · CFJ

CFJ · (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2, 4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide

CFJ, (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2, 4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide (C25 H26 Cl N5 O4, 496.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
CFJ
Formula
C25 H26 Cl N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

CFJ in 2 structures; the first of them:

  • 6B31 · Structure of RORgt in complex with a novel inverse agonist 2 · CFJ A600 · binds LEU287, CYS320, HIS323, ALA327, VAL361, LEU362, MET365, ALA368 and 5 more
  • 6B31 · Structure of rorgt in complex with a novel inverse agonist 2 · CFJ A600 · binds LEU287, CYS320, HIS323, ALA327, VAL361, LEU362, MET365, ALA368 and 5 more

Residues it binds most

PHE 4, ALA 4, HIS 4, LEU 4, VAL 4, CYS 4, MET 4 (residue and the binding sites it lines).

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