Ligand · XPY
XPY · 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
XPY, 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (C18 H21 F3 N8 O, 422.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- XPY
- Formula
- C18 H21 F3 N8 O
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
XPY in 2 structures; the first of them:
- 4Y73 · Crystal structure of IRAK4 kinase domain with inhibitor · XPY A1000 · binds MET192, GLY193, GLU194, GLY195, VAL200, ALA211, LYS213, VAL246 and 13 more
- 4Y73 · Crystal structure of IRAK4 kinase domain with inhibitor · XPY A1000 · binds MET192, GLY193, GLU194, GLY195, VAL200, ALA211, LYS213, VAL246 and 13 more
Residues it binds most
GLY 8, VAL 8, ALA 8, ASP 8, MET 8, SER 8, TYR 8, ASN 8, GLU 8, LEU 8 (residue and the binding sites it lines).
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