GL1X · GenesisL1 explorer

Ligand · XTK

XTK · 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile

XTK, 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile (C17 H23 N3 O2, 301.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
XTK
Formula
C17 H23 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XTK in 2 structures; the first of them:

  • 5A8E · thermostabilised beta1-adrenoceptor with rationally designed inverse agonist… · XTK A501 · binds TRP117, THR118, ASP121, VAL122, VAL125, THR126, PHE201, THR203 and 12 more
  • 5A8E · Thermostabilised BETA1-adrenoceptor with rationally designed inverse agonist… · XTK A501 · binds TRP117, THR118, ASP121, VAL122, VAL125, THR126, PHE201, THR203 and 12 more

Residues it binds most

PHE 2, SER 2, THR 2, ASN 2, TRP 2, TYR 2, VAL 2, ALA 2, ASP 2 (residue and the binding sites it lines).

Found with

  • MHA · (carbamoylmethyl-carboxymethyl-amino)-acetic acid
  • NA · Sodium ion
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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