MolNFT v1 · #165264 · protein
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
6TPE: “Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity”. X-ray diffraction, 1 ligand (NTW). MolNFT v1 #165264 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TPE
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P23458
- Ligands
- NTW
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 283 | — | P23458 |
| B | — | protein | 283 | — | P23458 |
Ligands and binding sites
- NTW · 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6TPE · Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P23458
- Elsewhere: RCSB PDB 6TPE · PDBe 6TPE · UniProt P23458
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