GL1X · GenesisL1 explorer

Ligand · 1JV

1JV · 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol

1JV, 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol (C22 H21 F3 N6 O2 S, 490.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
1JV
Formula
C22 H21 F3 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1JV in 2 structures; the first of them:

  • 4J6I · Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta… · 1JV A1201 · binds MET804, PRO810, TRP812, ILE831, LYS833, ASP836, ASP841, TYR867 and 11 more
  • 4J6I · Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta… · 1JV A1201 · binds MET804, PRO810, TRP812, ILE831, LYS833, ASP836, ASP841, TYR867 and 11 more

Residues it binds most

ASP 2, ILE 2, LYS 2, MET 2, ALA 2, GLU 2, PHE 2, PRO 2, TRP 2, TYR 2 (residue and the binding sites it lines).

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