GL1X · GenesisL1 explorer

Ligand · 1A2

1A2 · 5-(4'-amino-1'-ethyl-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile

1A2, 5-(4'-amino-1'-ethyl-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile (C21 H22 F2 N6 O, 412.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
1A2
Formula
C21 H22 F2 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1A2 in 2 structures; the first of them:

  • 3E6T · Structure of murine INOS oxygenase domain with inhibitor AR-C118901 · 1A2 A905 · binds GLN257, ILE259, ARG260, ALA276, TRP340, TYR341, PRO344, ALA345 and 9 more
  • 3E6T · Structure of murine inos oxygenase domain with inhibitor ar-C118901 · 1A2 A905 · binds GLN257, ILE259, ARG260, ALA276, TRP340, TYR341, PRO344, ALA345 and 9 more

Residues it binds most

ALA 4, ARG 4, TRP 4, TYR 4, ASP 4, ASN 4, GLN 4, GLU 4, GLY 4, ILE 4 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.