GL1X · GenesisL1 explorer

Ligand · XXF

XXF · (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile

XXF, (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (C22 H23 Cl N6 O, 422.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
XXF
Formula
C22 H23 Cl N6 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

XXF in 2 structures; the first of them:

  • 8FH4 · Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with… · XXF A401 · binds LEU23, GLY24, GLY25, GLY26, VAL31, ALA44, LYS46, VAL75 and 13 more
  • 8FP1 · PKCeta kinase domain in complex with compound 2 · XXF A9000 · binds LEU361, GLY362, LYS363, GLY364, SER365, VAL369, ALA382, LYS384 and 14 more

Residues it binds most

GLY 5, ALA 5, ASP 5, LEU 5, VAL 5, GLU 5, PHE 5, LYS 5, ASN 5, MET 5 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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