GL1X · GenesisL1 explorer

Ligand · 1IX

1IX · (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl) methanol

1IX, (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl) methanol (C24 H21 Cl F N5 O3, 481.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding…

Component
1IX
Formula
C24 H21 Cl F N5 O3
Class
ligand
Structures
4
PDB entries
3

Binding sites

1IX in 4 structures; the first of them:

  • 7OTY · DNA-PKcs in complex with M3814 · 1IX A6101 · binds MET3729, ALA3730, SER3731, PRO3735, ARG3737, LEU3751, LYS3753, TYR3791 and 11 more
  • 7Z87 · DNA-PK in the active state · 1IX A4201 · binds MET3729, ALA3730, SER3731, PRO3735, LEU3751, LYS3753, ASP3761, TYR3791 and 13 more
  • 7Z88 · DNA-PK in the intermediate state · 1IX A4201 · binds MET3729, ALA3730, SER3731, PRO3735, LEU3751, LYS3753, TYR3791, ILE3803 and 8 more
  • 7OTY · DNA-pkcs in complex with M3814 · 1IX A6101 · binds MET3729, ALA3730, SER3731, PRO3735, ARG3737, LEU3751, LYS3753, TYR3791 and 10 more

Residues it binds most

ILE 4, LEU 4, MET 4, THR 4, ASN 4, ASP 4, ALA 4, GLU 4, LYS 4, PRO 4 (residue and the binding sites it lines).

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