Ligand · Y5D
Y5D · {1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile
Y5D, {1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile (C28 H32 F N9 O2 S, 577.7 g/mol), in the MolNFT structures on GenesisL1: bound…
- Component
- Y5D
- Formula
- C28 H32 F N9 O2 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
Y5D in 2 structures; the first of them:
- 7LL4 · High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-114. · Y5D A1201 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 14 more
- 7LL4 · High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-114. · Y5D A1201 · binds LEU855, GLY856, LYS857, GLY858, GLY861, SER862, VAL863, ALA880 and 14 more
Residues it binds most
GLY 2, LEU 2, LYS 2, TYR 2, VAL 2, ALA 2, ARG 2, ASN 2, ASP 2, GLU 2 (residue and the binding sites it lines).
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