Ligand · 9T6
9T6 · 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2, 3-b]pyridine-5-carboxamide
9T6, 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2, 3-b]pyridine-5-carboxamide (C18 H22 N4 O2, 326.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within…
- Component
- 9T6
- Formula
- C18 H22 N4 O2
- Class
- ligand
- Structures
- 4
- PDB entries
- 4
Binding sites
9T6 in 4 structures; the first of them:
- 6AAH · Crystal structure of JAK1 in complex with peficitinib · 9T6 A1201 · binds LEU881, GLY882, VAL889, ALA906, VAL938, MET956, GLU957, PHE958 and 7 more
- 6AAJ · Crystal structure of JAK2 in complex with peficitinib · 9T6 A1201 · binds LEU855, GLY856, VAL863, ALA880, VAL911, MET929, GLU930, TYR931 and 3 more
- 6AAK · Crystal structure of JAK3 in complex with peficitinib · 9T6 A1201 · binds LEU828, ALA853, VAL884, MET902, GLU903, TYR904, LEU905, GLY908 and 4 more
- 6AAM · Crystal structure of TYK2 in complex with peficitinib · 9T6 A1201 · binds LEU903, VAL911, ALA928, ILE960, MET978, GLU979, TYR980, VAL981 and 5 more
Residues it binds most
LEU 9, GLY 9, VAL 9, ALA 9, GLU 9, MET 9, ARG 8, ASN 8, TYR 7, ASP 6 (residue and the binding sites it lines).
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