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Ligand · KCC

KCC · N-methylquinoxalin-2-amine

KCC, N-methylquinoxalin-2-amine (C9 H9 N3, 159.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
KCC
Formula
C9 H9 N3
Class
ligand
Structures
2
PDB entries
2

Binding sites

KCC in 2 structures; the first of them:

  • 7GAP · PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with… · KCC A201 · binds ARG21, ARG24, GLU25
  • 7H7J · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · KCC A210 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, TYR142, CYS143 and 1 more

Residues it binds most

ARG 6, ASP 5, CYS 5, MET 5, ALA 4, GLY 4, ILE 4, TYR 4, VAL 4, GLU 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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