GL1X · GenesisL1 explorer

Ligand · X9Y

X9Y · 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6, 7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide

X9Y, 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6, 7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (C32 H38 N8 O2, 566.7 g/mol), in the MolNFT structures…

Component
X9Y
Formula
C32 H38 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X9Y in 2 structures; the first of them:

  • 7KXQ · BTK1 soaked with compound 30 · X9Y A703 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 18 more
  • 7KXQ · BTK1 soaked with compound 30 · X9Y A703 · binds LEU408, GLY409, THR410, GLY411, GLN412, PHE413, VAL416, ALA428 and 18 more

Residues it binds most

GLY 2, LEU 2, ALA 2, ASN 2, ASP 2, SER 2, THR 2, TYR 2, VAL 2, CYS 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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